General Information of the Compound
| Compound ID |
CP0512951
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| Compound Name |
US9428456, 1.191
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| Structure |
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| Formula |
C27H36N4O2
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| Molecular Weight |
448.611
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| Canonical SMILES |
CC(N1CCC(CC1)C(=O)NC1CCCCC1)c1cccc(NC(=O)c2cc(C)ccn2)c1
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| InChI |
InChI=1S/C27H36N4O2/c1-19-11-14-28-25(17-19)27(33)30-24-10-6-7-22(18-24)20(2)31-15-12-21(13-16-31)26(32)29-23-8-4-3-5-9-23/h6-7,10-11,14,17-18,20-21,23H,3-5,8-9,12-13,15-16H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
PHCLLHSYAPJTFC-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