General Information of the Compound
| Compound ID |
CP0566348
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| Compound Name |
US9428456, 1.120
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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 |
Cc1c(Cl)cccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H34ClN3O2/c1-19-24(11-6-12-25(19)28)27(33)30-23-10-5-7-20(17-23)18-31-15-13-21(14-16-31)26(32)29-22-8-3-2-4-9-22/h5-7,10-12,17,21-22H,2-4,8-9,13-16,18H2,1H3,(H,29,32)(H,30,33)
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| InChIKey |
IMSSWGKCMMQGTO-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