General Information of the Compound
| Compound ID |
CP0553658
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| Compound Name |
2-(5-chloro-2-methylphenyl)-1-methyl-5-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C28H30ClN7O
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| Molecular Weight |
516.049
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc(C(N)=O)c(-c3cc(Cl)ccc3C)n2C)cc1
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| InChI |
InChI=1S/C28H30ClN7O/c1-18-4-5-19(29)16-22(18)26-23(27(30)37)17-25(35(26)3)24-10-11-31-28(33-24)32-20-6-8-21(9-7-20)36-14-12-34(2)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H2,30,37)(H,31,32,33)
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| InChIKey |
GTPKZTQLTICGMS-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