General Information of the Compound
| Compound ID |
CP0572248
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| Compound Name |
US9428456, 1.217
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| Structure |
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| Formula |
C25H30ClN3O2
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| Molecular Weight |
439.987
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| Canonical SMILES |
Clc1ccc(NC(=O)c2ccccc2)cc1CN1CCC(CC1)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C25H30ClN3O2/c26-23-11-10-22(28-24(30)18-6-2-1-3-7-18)16-20(23)17-29-14-12-19(13-15-29)25(31)27-21-8-4-5-9-21/h1-3,6-7,10-11,16,19,21H,4-5,8-9,12-15,17H2,(H,27,31)(H,28,30)
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| InChIKey |
KEWMZDGJLUQISJ-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