OTAVA-FLUOR OTVD_0374_Chemical Cloud Database

OTAVA-FLUOR OTVD_0374

Basic Information
Product Name：	OTAVA-FLUOR OTVD_0374
English Synonyms：	OTAVA-FLUOR OTVD_0374
MDL Number.：	MFCD14525463
H bond acceptor：	6
H bond donor：	2
Smile：	CC\1(c2ccccc2N(/C1=C/C=C/C=C/C=C/c3[n+](c4ccc(cc4s3)NC(=O)c5ccccc5)CCCCCC(=O)O)C)C
InChi：	InChI=1S/C38H39N3O3S/c1-38(2)30-19-14-15-20-31(30)40(3)34(38)21-11-5-4-6-12-22-35-41(26-16-8-13-23-36(42)43)32-25-24-29(27-33(32)45-35)39-37(44)28-17-9-7-10-18-28/h4-7,9-12,14-15,17-22,24-25,27H,8,13,16,23,26H2,1-3H3,(H-,39,42,43,44)/p+1
InChiKey：	InChIKey=HCTLHVOFAOFIEJ-UHFFFAOYSA-O

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