General Information of the Compound
| Compound ID |
CP0570111
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C21H20Cl2FN5O2
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| Molecular Weight |
464.328
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| Canonical SMILES |
Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(CC2CCNCC2)c1
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| InChI |
InChI=1S/C21H20Cl2FN5O2/c22-15-1-2-16(23)19(24)18(15)20(30)13-7-17(26-8-13)21(31)28-14-9-27-29(11-14)10-12-3-5-25-6-4-12/h1-2,7-9,11-12,25-26H,3-6,10H2,(H,28,31)
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| InChIKey |
RMXRWGZHGVSUOH-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