Fkbp12 protac rc32

CAT: 0926-AVD55566-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-AVD55566-01Size:10 mg

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CAS Number

2375555-66-9

Smiles

CC1CCC2CC (C (=CC=CC=CC (CC (C (=O) C (C (C (=CC (C (=O) CC (OC (=O) C3CCCCN3C (=O) C (=O) C1 (O2) O) C (C) CC4CCC (C (C4) OC) OCCOCC5=CN (N=N5) CCOCCOCCNC6=CC=CC7=C6C (=O) N (C7=O) C8CCC (=O) NC8=O) C) C) O) OC) C) C) C) OC

Molecular Formula

C75H107N7O20

Molecular Weight

1,426.7 g/mol

Controlled

Chemical Information

(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

CAS Number	2375555-66-9
PubChem CID	156599864
IUPAC Name	(1R,9S,12S,15R,16Z,18R,19R,21R,23S,24Z,26Z,28Z,30S,32S,35R)-12-[(2R)-1-[(1S,3R,4R)-4-[2-[[1-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]-3-methoxycyclohexyl]propan-2-yl]-1,18-dihydroxy-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Molecular Formula	C75H107N7O20
Molecular Weight	1426.7
XLogP	5.8
Topological Polar Surface Area	338
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	23
Heavy Atom Count	102
Formal Charge	0
Complexity	2980

SMILES

C[C@@H]1CC[C@H]2C[C@@H](/C(=C\C=C/C=C\[C@H](C[C@H](C(=O)[C@@H]([C@@H](/C(=C\[C@H](C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)OCCOCC5=CN(N=N5)CCOCCOCCNC6=CC=CC7=C6C(=O)N(C7=O)C8CCC(=O)NC8=O)C)/C)O)OC)C)C)/C)OC

InChI

InChI=1S/C75H107N7O20/c1-45-17-12-11-13-18-46(2)61(94-8)41-54-24-22-51(7)75(93,102-54)69(87)73(91)81-29-15-14-21-58(81)74(92)101-62(42-59(83)47(3)38-50(6)67(86)68(96-10)66(85)49(5)37-45)48(4)39-52-23-26-60(63(40-52)95-9)100-36-35-99-44-53-43-80(79-78-53)30-32-98-34-33-97-31-28-76-56-20-16-19-55-65(56)72(90)82(71(55)89)57-25-27-64(84)77-70(57)88/h11-13,16-20,38,43,45,47-49,51-52,54,57-58,60-63,67-68,76,86,93H,14-15,21-37,39-42,44H2,1-10H3,(H,77,84,88)/b13-11-,17-12-,46-18-,50-38-/t45-,47-,48-,49-,51-,52+,54+,57?,58+,60-,61+,62+,63-,67-,68+,75-/m1/s1

InChIKey

XCSUEITWRRFFMN-LPIXFUNRSA-N

Chemical Structure

2D Structure

CAS: 2375555-66-9

CID: 156599864

Formula: C75H107N7O20

MW: 1426.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1426.7
XLogP3	5.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	23
Exact Mass	1425.75708883
Monoisotopic Mass	1425.75708883
Topological Polar Surface Area	338 Å²
Heavy Atom Count	102
Formal Charge	0
Complexity	2980
Isotope Atom Count	0
Defined Atom Stereocenter Count	15
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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