General Information of the Compound
| Compound ID |
CP0512967
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| Compound Name |
US9428456, 1.342
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| Structure |
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| Formula |
C23H36N4O2
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| Molecular Weight |
400.567
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| Canonical SMILES |
CN(C)C\C=C\C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC(C)(C)C)c1
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| InChI |
InChI=1S/C23H36N4O2/c1-23(2,3)25-22(29)19-11-14-27(15-12-19)17-18-8-6-9-20(16-18)24-21(28)10-7-13-26(4)5/h6-10,16,19H,11-15,17H2,1-5H3,(H,24,28)(H,25,29)/b10-7+
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| InChIKey |
OFDJOKGXFHGTSD-JXMROGBWSA-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