General Information of the Compound
| Compound ID |
CP0921632
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| Compound Name |
4-(2-fluorobenzoyl)-N-(3-(4-methylpiperazin-1-yl)benzyl)-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C24H25FN4O2
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| Molecular Weight |
420.488
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| Canonical SMILES |
CN1CCN(c2cccc(CNC(=O)c3cc(C(=O)c4ccccc4F)c[nH]3)c2)CC1
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| InChI |
InChI=1S/C24H25FN4O2/c1-28-9-11-29(12-10-28)19-6-4-5-17(13-19)15-27-24(31)22-14-18(16-26-22)23(30)20-7-2-3-8-21(20)25/h2-8,13-14,16,26H,9-12,15H2,1H3,(H,27,31)
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| InChIKey |
TYTBJOBYNQUTSH-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