General Information of the Compound
| Compound ID |
CP0494714
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| Compound Name |
CHEMBL1829324
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| Formula |
C20H30ClN3O5S2
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| Molecular Weight |
492.063
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| Canonical SMILES |
CC(C)S(=O)(=O)NC[C@H]1CC[C@@H](CC1)NC(=O)CN1CCS(=O)(=O)c2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H30ClN3O5S2/c1-14(2)31(28,29)22-12-15-3-6-17(7-4-15)23-20(25)13-24-9-10-30(26,27)19-11-16(21)5-8-18(19)24/h5,8,11,14-15,17,22H,3-4,6-7,9-10,12-13H2,1-2H3,(H,23,25)/t15-,17-
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| InChIKey |
ZYTJLPCJUVGACS-JCNLHEQBSA-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