General Information of the Compound
| Compound ID |
CP0960823
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| Compound Name |
(2S)-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N,N-dimethyl-propanamide
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| Formula |
C24H26F3N3O
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| Molecular Weight |
429.486
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| Canonical SMILES |
C[C@H](NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1)C(=O)N(C)C
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| InChI |
InChI=1S/C24H26F3N3O/c1-13(24(31)30(2)3)28-12-14-8-16(9-14)21-19-10-18(26)11-20(27)23(19)29-22(21)15-4-6-17(25)7-5-15/h4-7,10-11,13-14,16,28-29H,8-9,12H2,1-3H3/t13-,14?,16?/m0/s1
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| InChIKey |
MXDSGYFUHKGNKE-HLIUYOAVSA-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