General Information of the Compound
| Compound ID |
CP0539853
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| Compound Name |
US9428456, 2.012
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| Structure |
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| Formula |
C30H40ClN3O2
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| Molecular Weight |
510.122
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| Canonical SMILES |
CC(C)(C)C1CCC(CC1)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
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| InChI |
InChI=1S/C30H40ClN3O2/c1-30(2,3)24-9-13-26(14-10-24)32-29(36)23-15-17-34(18-16-23)20-21-5-4-6-27(19-21)33-28(35)22-7-11-25(31)12-8-22/h4-8,11-12,19,23-24,26H,9-10,13-18,20H2,1-3H3,(H,32,36)(H,33,35)
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| InChIKey |
KYXYHYWVJQUQBG-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