General Information of the Compound
| Compound ID |
CP0960796
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3S,5S)-5-(hydroxymethyl)-2-oxo-pyrrolidin-3-yl]cyclobutanecarboxamide
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| Formula |
C24H22F3N3O3
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| Molecular Weight |
457.452
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| Canonical SMILES |
O=C1N[C@H](CO)C[C@@H]1NC(=O)[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H22F3N3O3/c25-14-3-1-11(2-4-14)21-20(17-7-15(26)8-18(27)22(17)30-21)12-5-13(6-12)23(32)29-19-9-16(10-31)28-24(19)33/h1-4,7-8,12-13,16,19,30-31H,5-6,9-10H2,(H,28,33)(H,29,32)/t12-,13-,16-,19-/m0/s1
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| InChIKey |
RQKVZUMFIRNCSN-DYIBVVGTSA-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