General Information of the Compound
| Compound ID |
CP0443758
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| Compound Name |
US8536198, 35
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| Structure |
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| Formula |
C27H34ClN3O3
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| Molecular Weight |
484.04
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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)Nc1ccccc1
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| InChI |
InChI=1S/C27H34ClN3O3/c1-26(2)18-31(17-16-27(26,34)19-12-14-20(28)15-13-19)24(32)22-10-6-7-11-23(22)30-25(33)29-21-8-4-3-5-9-21/h3-5,8-9,12-15,22-23,34H,6-7,10-11,16-18H2,1-2H3,(H2,29,30,33)/t22-,23+,27-/m0/s1
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| InChIKey |
OKNBWALBPLJXKU-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