General Information of the Compound
| Compound ID |
CP0969996
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-oxo-2-[[(2S)-3,3,3-trifluoro-2-hydroxy-propyl]amino]ethyl]cyclobutanecarboxamide
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| Formula |
C24H21F6N3O3
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| Molecular Weight |
513.438
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| Canonical SMILES |
O=C(CNC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NC[C@H](O)C(F)(F)F
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| InChI |
InChI=1S/C24H21F6N3O3/c25-14-3-1-11(2-4-14)21-20(16-7-15(26)8-17(27)22(16)33-21)12-5-13(6-12)23(36)32-10-19(35)31-9-18(34)24(28,29)30/h1-4,7-8,12-13,18,33-34H,5-6,9-10H2,(H,31,35)(H,32,36)/t12-,13-,18-/m0/s1
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| InChIKey |
WFFNIUKLYISAMO-LXIYXOSZSA-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