General Information of the Compound
| Compound ID |
CP0516939
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| Compound Name |
US9428456, 2.027
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| Structure |
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| Formula |
C27H27Cl2N3O2
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| Molecular Weight |
496.438
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCc2cccc(Cl)c2)c1
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| InChI |
InChI=1S/C27H27Cl2N3O2/c28-23-9-7-21(8-10-23)27(34)31-25-6-2-4-20(16-25)18-32-13-11-22(12-14-32)26(33)30-17-19-3-1-5-24(29)15-19/h1-10,15-16,22H,11-14,17-18H2,(H,30,33)(H,31,34)
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| InChIKey |
JTWXXYKFDBXOLM-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