General Information of the Compound
| Compound ID |
CP0968722
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| Compound Name |
trans-N-(2-amino-3,3,3-trifluoro-2-methyl-propanoyl)-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutanecarboxamide
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| Formula |
C23H19F6N3O2
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| Molecular Weight |
483.412
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| Canonical SMILES |
CC(N)(C(=O)NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F6N3O2/c1-22(30,23(27,28)29)21(34)32-20(33)12-6-11(7-12)17-15-8-14(25)9-16(26)19(15)31-18(17)10-2-4-13(24)5-3-10/h2-5,8-9,11-12,31H,6-7,30H2,1H3,(H,32,33,34)/t11-,12-,22?
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| InChIKey |
XEJFCWCMVQOEOY-GCEPXUMISA-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