General Information of the Compound
| Compound ID |
CP0579555
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-[6-[(1-methylpiperidin-4-yl)methyl]pyridin-3-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C24H23Cl2FN4O2
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| Molecular Weight |
489.378
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| Canonical SMILES |
CN1CCC(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1
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| InChI |
InChI=1S/C24H23Cl2FN4O2/c1-31-8-6-14(7-9-31)10-16-2-3-17(13-28-16)30-24(33)20-11-15(12-29-20)23(32)21-18(25)4-5-19(26)22(21)27/h2-5,11-14,29H,6-10H2,1H3,(H,30,33)
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| InChIKey |
BSXWVGKWFWOEKW-UHFFFAOYSA-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