General Information of the Compound
| Compound ID |
CP0559134
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| Compound Name |
US9133168, Example 4c
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| Structure |
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| Formula |
C21H25ClN4O3
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| Molecular Weight |
416.909
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| Canonical SMILES |
Cn1c(CC(=O)N2CC(C)(C)c3c2cccc3Cl)nc(cc1=O)N1CCOCC1
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| InChI |
InChI=1S/C21H25ClN4O3/c1-21(2)13-26(15-6-4-5-14(22)20(15)21)19(28)11-16-23-17(12-18(27)24(16)3)25-7-9-29-10-8-25/h4-6,12H,7-11,13H2,1-3H3
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| InChIKey |
STIIIKRPJJSAOG-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