General Information of the Compound
| Compound ID |
CP0563166
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| Compound Name |
US9428456, 4.003
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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 |
Cc1cncc(c1)C(=O)Nc1cccc(CN2CCC(C)(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C27H36N4O2/c1-20-15-22(18-28-17-20)25(32)29-24-10-6-7-21(16-24)19-31-13-11-27(2,12-14-31)26(33)30-23-8-4-3-5-9-23/h6-7,10,15-18,23H,3-5,8-9,11-14,19H2,1-2H3,(H,29,32)(H,30,33)
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| InChIKey |
OYOLQIUEHULUFZ-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