General Information of the Compound
| Compound ID |
CP0539549
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| Compound Name |
US8653100, 155
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| Structure |
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| Formula |
C26H35ClN2O3S
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| Molecular Weight |
491.097
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| Canonical SMILES |
CC(C)(C)CS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C26H35ClN2O3S/c1-25(2,3)18-33(30,31)29-15-16-32-22-10-5-19-11-14-28-24(23(19)17-22)26(12-4-13-26)20-6-8-21(27)9-7-20/h5-10,17,24,28-29H,4,11-16,18H2,1-3H3
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| InChIKey |
TXJOGYWXAOFQPJ-UHFFFAOYSA-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