General Information of the Compound
| Compound ID |
CP0969995
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(3S)-3-(hydroxymethyl)piperazin-1-yl]methanone
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| Formula |
C24H24F3N3O2
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| Molecular Weight |
443.469
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCN[C@H](CO)C1
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| InChI |
InChI=1S/C24H24F3N3O2/c25-16-3-1-13(2-4-16)22-21(19-9-17(26)10-20(27)23(19)29-22)14-7-15(8-14)24(32)30-6-5-28-18(11-30)12-31/h1-4,9-10,14-15,18,28-29,31H,5-8,11-12H2/t14-,15-,18-/m0/s1
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| InChIKey |
QHVQGAFONQXLHC-MPGHIAIKSA-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