General Information of the Compound
| Compound ID |
CP0544301
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| Compound Name |
US9428456, 1.235
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| Structure |
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc4ccccc4n3)c2)CC1
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| InChI |
InChI=1S/C27H32N4O2/c1-27(2,3)30-25(32)21-13-15-31(16-14-21)18-19-7-6-9-22(17-19)28-26(33)24-12-11-20-8-4-5-10-23(20)29-24/h4-12,17,21H,13-16,18H2,1-3H3,(H,28,33)(H,30,32)
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| InChIKey |
NLAOVKWBGPPYMF-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