General Information of the Compound
| Compound ID |
CP0552288
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| Compound Name |
US9428456, 1.268
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| Structure |
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| Formula |
C27H33Cl2N3O2
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| Molecular Weight |
502.486
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C3(CC3)c3ccc(Cl)cc3Cl)c2)CC1
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| InChI |
InChI=1S/C27H33Cl2N3O2/c1-26(2,3)31-24(33)19-9-13-32(14-10-19)17-18-5-4-6-21(15-18)30-25(34)27(11-12-27)22-8-7-20(28)16-23(22)29/h4-8,15-16,19H,9-14,17H2,1-3H3,(H,30,34)(H,31,33)
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| InChIKey |
ZLBXRVQBCDYCII-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