General Information of the Compound
| Compound ID |
CP0470663
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| Compound Name |
US9481682, 196
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| Structure |
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| Formula |
C25H23Cl2N7O2S
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| Molecular Weight |
556.479
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| Canonical SMILES |
Cc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(Cl)c2)s1
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| InChI |
InChI=1S/C25H23Cl2N7O2S/c1-12-9-30-25(37-12)32-24(36)13-3-6-16(17(26)8-13)20-21-22(28)29-10-18(27)34(21)23(31-20)14-2-4-15-5-7-19(35)33(15)11-14/h3,6,8-10,14-15H,2,4-5,7,11H2,1H3,(H2,28,29)(H,30,32,36)/t14-,15+/m1/s1
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| InChIKey |
CAEKPHPZEPCPFV-CABCVRRESA-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