General Information of the Compound
| Compound ID |
CP0483910
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| Compound Name |
US9428456, 2.018
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| Structure |
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| Formula |
C32H32ClN3O2
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| Molecular Weight |
526.08
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| Canonical SMILES |
CC(NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C32H32ClN3O2/c1-22(29-11-5-8-24-7-2-3-10-30(24)29)34-31(37)26-16-18-36(19-17-26)21-23-6-4-9-28(20-23)35-32(38)25-12-14-27(33)15-13-25/h2-15,20,22,26H,16-19,21H2,1H3,(H,34,37)(H,35,38)
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| InChIKey |
YZPCPLZCZPKXJI-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