General Information of the Compound
| Compound ID |
CP0561246
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| Compound Name |
US9428456, 2.015
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| Structure |
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| Formula |
C27H34ClN3O2
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| Molecular Weight |
468.041
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| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NCC2CCCCC2)c1
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| InChI |
InChI=1S/C27H34ClN3O2/c28-24-11-9-22(10-12-24)27(33)30-25-8-4-7-21(17-25)19-31-15-13-23(14-16-31)26(32)29-18-20-5-2-1-3-6-20/h4,7-12,17,20,23H,1-3,5-6,13-16,18-19H2,(H,29,32)(H,30,33)
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| InChIKey |
JCBDRAVVBWPHLM-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