General Information of the Compound
| Compound ID |
CP0570110
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C20H18Cl2FN5O2
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| Molecular Weight |
450.301
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| Canonical SMILES |
Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnn(c1)C1CCNCC1
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| InChI |
InChI=1S/C20H18Cl2FN5O2/c21-14-1-2-15(22)18(23)17(14)19(29)11-7-16(25-8-11)20(30)27-12-9-26-28(10-12)13-3-5-24-6-4-13/h1-2,7-10,13,24-25H,3-6H2,(H,27,30)
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| InChIKey |
KXKUHKCYNREALC-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