General Information of the Compound
| Compound ID |
CP0483931
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| Compound Name |
US9428456, 1.165
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C27H35N3O2/c1-20(23-11-8-14-25(19-23)29-26(31)21-9-4-2-5-10-21)30-17-15-22(16-18-30)27(32)28-24-12-6-3-7-13-24/h2,4-5,8-11,14,19-20,22,24H,3,6-7,12-13,15-18H2,1H3,(H,28,32)(H,29,31)
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| InChIKey |
CBSDCXGDCKHMIJ-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