General Information of the Compound
| Compound ID |
CP0483907
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| Compound Name |
US9428456, 2.002
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| Structure |
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| Formula |
C21H24ClN3O2
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| Molecular Weight |
385.895
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| Canonical SMILES |
CNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C21H24ClN3O2/c1-23-20(26)17-9-11-25(12-10-17)14-15-3-2-4-19(13-15)24-21(27)16-5-7-18(22)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,23,26)(H,24,27)
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| InChIKey |
CULVDHVSSDHIGO-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