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BMS-P5

CAT: 0926-AMC37122-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AMC37122-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1550371-22-6
Smiles
CC1CCC (CN1C (=O) C2=CC3=C (C (=C2) OC) N (C (=N3) C4=CC5=C (N4CC6CC6) N=CC=C5) C) N
Molecular Formula
C27H32N6O2
Molecular Weight
472.6 g/mol
Controlled
No

Chemical Information

BMS-P5 free base
CAS Number1550371-22-6
PubChem CID118158953
IUPAC Name[(2S,5R)-5-amino-2-methylpiperidin-1-yl]-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
Molecular FormulaC27H32N6O2
Molecular Weight472.6
XLogP2.6
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity779
SMILES
C[C@H]1CC[C@H](CN1C(=O)C2=CC3=C(C(=C2)OC)N(C(=N3)C4=CC5=C(N4CC6CC6)N=CC=C5)C)N
InChI
InChI=1S/C27H32N6O2/c1-16-6-9-20(28)15-32(16)27(34)19-11-21-24(23(13-19)35-3)31(2)26(30-21)22-12-18-5-4-10-29-25(18)33(22)14-17-7-8-17/h4-5,10-13,16-17,20H,6-9,14-15,28H2,1-3H3/t16-,20+/m0/s1
InChIKey
PXJXCBYHGJEEJH-OXJNMPFZSA-N
Chemical Structure
2D Structure
2D structure of BMS-P5 free base
CAS: 1550371-22-6
CID: 118158953
Formula: C27H32N6O2
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass472.25867428
Monoisotopic Mass472.25867428
Topological Polar Surface Area91.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity779
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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