General Information of the Compound
| Compound ID |
CP0970555
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-[(2S)-2-(hydroxymethyl)-1-piperidyl]methanone
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| Formula |
C25H25F3N2O2
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| Molecular Weight |
442.481
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| Canonical SMILES |
O=C([C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N1CCCC[C@H]1CO
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| InChI |
InChI=1S/C25H25F3N2O2/c26-17-6-4-14(5-7-17)23-22(20-11-18(27)12-21(28)24(20)29-23)15-9-16(10-15)25(32)30-8-2-1-3-19(30)13-31/h4-7,11-12,15-16,19,29,31H,1-3,8-10,13H2/t15-,16-,19-/m0/s1
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| InChIKey |
YJMMXPUNRDSCAP-BXWFABGCSA-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