General Information of the Compound
| Compound ID |
CP0317914
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| Compound Name |
US8536198, 104
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| Structure |
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| Formula |
C28H35ClN2O3
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| Molecular Weight |
483.052
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccccc1
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| InChI |
InChI=1S/C28H35ClN2O3/c1-26(2)19-31(18-17-28(26,34)21-12-14-22(29)15-13-21)25(33)23-11-7-8-16-27(23,3)30-24(32)20-9-5-4-6-10-20/h4-6,9-10,12-15,23,34H,7-8,11,16-19H2,1-3H3,(H,30,32)/t23-,27-,28+/m1/s1
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| InChIKey |
RTPLCKPBIFDXTA-QPVYNBJUSA-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