General Information of the Compound
| Compound ID |
CP0953208
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| Compound Name |
trans-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-isopropyl-acetamide
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| Formula |
C24H26F3N3O
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| Molecular Weight |
429.486
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| Canonical SMILES |
CC(C)NC(=O)CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H26F3N3O/c1-13(2)29-21(31)12-28-11-14-7-16(8-14)22-19-9-18(26)10-20(27)24(19)30-23(22)15-3-5-17(25)6-4-15/h3-6,9-10,13-14,16,28,30H,7-8,11-12H2,1-2H3,(H,29,31)/t14-,16-
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| InChIKey |
SOXFVAZDZSKFQJ-KOMQPUFPSA-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