General Information of the Compound
| Compound ID |
CP0531305
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| Compound Name |
US9428456, 1.311
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| Structure |
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| Formula |
C27H37N3O2
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| Molecular Weight |
435.612
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)C(C)(C)c3ccccc3)c2)CC1
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| InChI |
InChI=1S/C27H37N3O2/c1-26(2,3)29-24(31)21-14-16-30(17-15-21)19-20-10-9-13-23(18-20)28-25(32)27(4,5)22-11-7-6-8-12-22/h6-13,18,21H,14-17,19H2,1-5H3,(H,28,32)(H,29,31)
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| InChIKey |
YWKGICVYAZZSDI-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