General Information of the Compound
| Compound ID |
CP0544479
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| Compound Name |
US8536198, 67
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| Structure |
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| Formula |
C28H35ClN2O4
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| Molecular Weight |
499.051
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| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@H]1NC(=O)[C@H](O)c1ccccc1
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| InChI |
InChI=1S/C28H35ClN2O4/c1-27(2)18-31(17-16-28(27,35)20-12-14-21(29)15-13-20)26(34)22-10-6-7-11-23(22)30-25(33)24(32)19-8-4-3-5-9-19/h3-5,8-9,12-15,22-24,32,35H,6-7,10-11,16-18H2,1-2H3,(H,30,33)/t22-,23+,24+,28-/m0/s1
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| InChIKey |
JUWCRUKNQPMJSF-KVOKEACQSA-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