General Information of the Compound
| Compound ID |
CP0970312
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| Compound Name |
trans-3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl]cyclobutanecarboxamide
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| Formula |
C25H23F3N4O2
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| Molecular Weight |
468.479
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| Canonical SMILES |
COCc1cc(CNC(=O)[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)n[nH]1
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| InChI |
InChI=1S/C25H23F3N4O2/c1-34-12-19-10-18(31-32-19)11-29-25(33)15-6-14(7-15)22-20-8-17(27)9-21(28)24(20)30-23(22)13-2-4-16(26)5-3-13/h2-5,8-10,14-15,30H,6-7,11-12H2,1H3,(H,29,33)(H,31,32)/t14-,15-
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| InChIKey |
TWNQSTFENRHLNB-SHTZXODSSA-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