General Information of the Compound
| Compound ID |
CP0579131
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C22H21Cl2FN6O2
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| Molecular Weight |
491.354
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| Canonical SMILES |
CN1CCN(Cc2ncc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1
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| InChI |
InChI=1S/C22H21Cl2FN6O2/c1-30-4-6-31(7-5-30)12-18-27-10-14(11-28-18)29-22(33)17-8-13(9-26-17)21(32)19-15(23)2-3-16(24)20(19)25/h2-3,8-11,26H,4-7,12H2,1H3,(H,29,33)
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| InChIKey |
TVSIVXGRLCYWOW-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