CPI-203 200mg

CAT: 0628-A13068-200Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0628-A13068-200Size:200 mg

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CAS Number

1446144-04-2

Chemical Information

Cpi-203

a BET protein bromodomain inhibitor

CAS Number	1446144-04-2
PubChem CID	71291068
IUPAC Name	2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
Molecular Formula	C19H18ClN5OS
Molecular Weight	399.9
XLogP	2.9
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	611

SMILES

CC1=C(SC2=C1C(=N[C@H](C3=NN=C(N32)C)CC(=O)N)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C19H18ClN5OS/c1-9-10(2)27-19-16(9)17(12-4-6-13(20)7-5-12)22-14(8-15(21)26)18-24-23-11(3)25(18)19/h4-7,14H,8H2,1-3H3,(H2,21,26)/t14-/m0/s1

InChIKey

QECMENZMDBOLDR-AWEZNQCLSA-N

Chemical Structure

2D Structure

CAS: 1446144-04-2

CID: 71291068

Formula: C19H18ClN5OS

MW: 399.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	399.9
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	399.0920591
Monoisotopic Mass	399.0920591
Topological Polar Surface Area	114 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	611
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes