General Information of the Compound
| Compound ID |
CP0465693
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| Compound Name |
US9150546, I-320
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| Structure |
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| Formula |
C21H23ClN4O4
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| Molecular Weight |
430.892
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C21H23ClN4O4/c1-14(2)30-18-9-7-17(8-10-18)23-19-24-20(28)25(11-12-27)21(29)26(19)13-15-3-5-16(22)6-4-15/h3-10,14,27H,11-13H2,1-2H3,(H,23,24,28)
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| InChIKey |
WNEKFDBSKZECEH-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