General Information of the Compound
| Compound ID |
CP0418253
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| Compound Name |
US9216968, 207
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| Structure |
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| Formula |
C24H20Cl3N5O2
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| Molecular Weight |
516.816
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| Canonical SMILES |
CN(C)c1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C24H20Cl3N5O2/c1-12-4-6-14(10-19(12)27)28-23(34)17-9-15(11-20-21(17)31-24(30-20)32(2)3)29-22(33)16-8-13(25)5-7-18(16)26/h4-11H,1-3H3,(H,28,34)(H,29,33)(H,30,31)
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| InChIKey |
AMKIHJCMSXVIKD-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