General Information of the Compound
| Compound ID |
CP0480758
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| Compound Name |
US8653100, 197
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| Structure |
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| Formula |
C27H38ClN3O3S
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| Molecular Weight |
520.139
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| Canonical SMILES |
CC(C)NCCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C27H38ClN3O3S/c1-20(2)29-14-4-18-35(32,33)31-16-17-34-24-10-5-21-11-15-30-26(25(21)19-24)27(12-3-13-27)22-6-8-23(28)9-7-22/h5-10,19-20,26,29-31H,3-4,11-18H2,1-2H3
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| InChIKey |
QNJDZYLFPXJGRH-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