General Information of the Compound
| Compound ID |
CP0566345
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| Compound Name |
US9428456, 2.104
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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 |
C[C@H]1C[C@H](CCN1Cc1cccc(NC(=O)c2cncc(C)c2)c1)C(=O)NC1CCCCC1
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| InChI |
InChI=1S/C27H36N4O2/c1-19-13-23(17-28-16-19)27(33)30-25-10-6-7-21(15-25)18-31-12-11-22(14-20(31)2)26(32)29-24-8-4-3-5-9-24/h6-7,10,13,15-17,20,22,24H,3-5,8-9,11-12,14,18H2,1-2H3,(H,29,32)(H,30,33)/t20-,22-/m0/s1
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| InChIKey |
BZEQIQNKAMHJMU-UNMCSNQZSA-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