General Information of the Compound
| Compound ID |
CP0572235
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| Compound Name |
US9428456, 1.192
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| Structure |
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| Formula |
C28H38N4O2
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| Molecular Weight |
462.638
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cc(C)cc(C)n2)c1
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| InChI |
InChI=1S/C28H38N4O2/c1-19-16-20(2)29-26(17-19)28(34)31-25-11-7-8-23(18-25)21(3)32-14-12-22(13-15-32)27(33)30-24-9-5-4-6-10-24/h7-8,11,16-18,21-22,24H,4-6,9-10,12-15H2,1-3H3,(H,30,33)(H,31,34)
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| InChIKey |
MGWXMJLGBXFBKE-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