General Information of the Compound
| Compound ID |
CP0533942
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| Compound Name |
US8536198, 83
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| Structure |
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| Formula |
C25H35ClN2O4
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| Molecular Weight |
463.018
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC[C@H](O)C1
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| InChI |
InChI=1S/C25H35ClN2O4/c1-24(2)15-28(13-12-25(24,32)17-7-9-18(26)10-8-17)23(31)20-4-3-5-21(20)27-22(30)16-6-11-19(29)14-16/h7-10,16,19-21,29,32H,3-6,11-15H2,1-2H3,(H,27,30)/t16-,19+,20+,21-,25+/m1/s1
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| InChIKey |
SVRPPFJTAYBKIT-KCBVEWRWSA-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