General Information of the Compound
| Compound ID |
CP0953206
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| Compound Name |
(2S)-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-(2,2,2-trifluoroethyl)butanamide
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| Formula |
C25H25F6N3O
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| Molecular Weight |
497.483
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| Canonical SMILES |
CC[C@H](NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)NCC(F)(F)F
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| InChI |
InChI=1S/C25H25F6N3O/c1-2-20(24(35)33-12-25(29,30)31)32-11-13-7-15(8-13)21-18-9-17(27)10-19(28)23(18)34-22(21)14-3-5-16(26)6-4-14/h3-6,9-10,13,15,20,32,34H,2,7-8,11-12H2,1H3,(H,33,35)/t13?,15?,20-/m0/s1
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| InChIKey |
JWTONGMCWOLVHN-IELXDLANSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound