BI 2536 | 755038-02-9 - Chemical Cloud Database

Molecular Structure:

CCD No.:CCD00948170

BI 2536

CAS No.: 755038-02-9

Formula:C28 H39 N7 O3

MolWeight:521.662

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Basic Information
Product Name：	BI 2536
CAS：	755038-02-9
English Synonyms：	BI 2536 ; BI2536 ; 4-[[(7R)-8-CYCLOPENTYL-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY-N-(1-BENZAMIDE ; 4-[[(7R)-8-CYCLOPENTYL-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY-N-(1-METHYL-4-PIPERIDINYL)BENZAMIDE ; (R)-4-[(8-CYCLOPENTYL-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-6-OXO-2-PTERIDINYL)AMINO]-3-METHOXY-N-(1-METHYL-4-PIPERIDINYL)BENZAMIDE ; 4-((R)-8-CYCLOPENTYL-7-ETHYL-5-METHYL-6-OXO-5,6,7,8-TETRAHYDRO-PTERIDIN-2-YLAMINO)-3-METHOXY-N-(1-METHYL-PIPERIDIN-4-YL)-BENZAMIDE ; (R)-BI-2536 ; BENZAMIDE, 4-[[(7R)-8-CYCLOPENTYL-7-ETHYL-5,6,7,8-TETRAHYDRO-5-METHYL-6-OXO-2-PTERIDINYL]AMINO]-3-METHOXY-N-(1-METHYL-4-PIPERIDINYL)- ; BOEHRINGER PLK-1 INHIBITOR ; BI-2536(R-)
MDL Number.：	MFCD10565924
H bond acceptor：	10
H bond donor：	2
Smile：	CC[C@@H]1C(=O)N(c2cnc(nc2N1C3CCCC3)Nc4ccc(cc4OC)C(=O)NC5CCN(CC5)C)C
InChi：	InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1
InChiKey：	InChIKey=XQVVPGYIWAGRNI-JOCHJYFZSA-N
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