General Information of the Compound
| Compound ID |
CP0505480
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| Compound Name |
CHEMBL1818184
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| Formula |
C23H32N2O4S
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| Molecular Weight |
432.586
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| Canonical SMILES |
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C23H32N2O4S/c1-23(2,3)29-22(26)24-15-17-8-10-18(11-9-17)16-25-30(27,28)21-13-12-19-6-4-5-7-20(19)14-21/h4-7,12-14,17-18,25H,8-11,15-16H2,1-3H3,(H,24,26)/t17-,18-
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| InChIKey |
NCTLNAWWXKBSSW-IYARVYRRSA-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