General Information of the Compound
| Compound ID |
CP0577392
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-[2-(piperazin-1-ylmethyl)pyrimidin-5-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C21H19Cl2FN6O2
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| Molecular Weight |
477.327
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| Canonical SMILES |
Fc1c(Cl)ccc(Cl)c1C(=O)c1c[nH]c(c1)C(=O)Nc1cnc(CN2CCNCC2)nc1
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| InChI |
InChI=1S/C21H19Cl2FN6O2/c22-14-1-2-15(23)19(24)18(14)20(31)12-7-16(26-8-12)21(32)29-13-9-27-17(28-10-13)11-30-5-3-25-4-6-30/h1-2,7-10,25-26H,3-6,11H2,(H,29,32)
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| InChIKey |
BTHFZZGILQJRRF-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