General Information of the Compound
| Compound ID |
CP0284251
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| Compound Name |
US8846698, 250
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| Structure |
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| Formula |
C23H21ClN6O2
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| Molecular Weight |
448.914
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| Canonical SMILES |
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C23H21ClN6O2/c1-13(2)30-12-19(18-11-27-23(25)29-22(18)30)21(32)15-8-17(10-26-9-15)28-20(31)7-14-3-5-16(24)6-4-14/h3-6,8-13H,7H2,1-2H3,(H,28,31)(H2,25,27,29)
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| InChIKey |
ZJGWNGRVSUFGBL-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