General Information of the Compound
| Compound ID |
CP0551933
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| Compound Name |
4-(3,6-dichloro-2-fluorobenzoyl)-N-[6-[(4-methylpiperazin-1-yl)methyl]pyridin-3-yl]-1H-pyrrole-2-carboxamide
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| Structure |
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| Formula |
C23H22Cl2FN5O2
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| Molecular Weight |
490.366
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| Canonical SMILES |
CN1CCN(Cc2ccc(NC(=O)c3cc(c[nH]3)C(=O)c3c(Cl)ccc(Cl)c3F)cn2)CC1
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| InChI |
InChI=1S/C23H22Cl2FN5O2/c1-30-6-8-31(9-7-30)13-16-3-2-15(12-27-16)29-23(33)19-10-14(11-28-19)22(32)20-17(24)4-5-18(25)21(20)26/h2-5,10-12,28H,6-9,13H2,1H3,(H,29,33)
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| InChIKey |
AVDDDCNESUOOSW-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