General Information of the Compound
| Compound ID |
CP0390696
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| Compound Name |
US8536198, 11
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CC(=O)CC[C@H]1NC(=O)c1ccccc1
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| InChI |
InChI=1S/C27H31ClN2O4/c1-26(2)17-30(15-14-27(26,34)19-8-10-20(28)11-9-19)25(33)22-16-21(31)12-13-23(22)29-24(32)18-6-4-3-5-7-18/h3-11,22-23,34H,12-17H2,1-2H3,(H,29,32)/t22-,23+,27-/m0/s1
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| InChIKey |
RKSUSIWCNBHLHJ-OBTVHEKISA-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