General Information of the Compound
| Compound ID |
CP0188940
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| Compound Name |
US8846698, 69
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| Structure |
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| Formula |
C23H20ClN5O2
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| Molecular Weight |
433.899
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| Canonical SMILES |
CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc12
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| InChI |
InChI=1S/C23H20ClN5O2/c1-14(2)29-12-20(19-11-26-13-27-23(19)29)22(31)16-8-18(10-25-9-16)28-21(30)7-15-3-5-17(24)6-4-15/h3-6,8-14H,7H2,1-2H3,(H,28,30)
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| InChIKey |
OBIPEYBSOQNLDE-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