General Information of the Compound
| Compound ID |
CP0466014
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| Compound Name |
CHEMBL1829313
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| Formula |
C23H33N3O4S2
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| Molecular Weight |
479.668
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| Canonical SMILES |
CC1(C)CC(=O)N(CC(=O)N[C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2ccccc2S1
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| InChI |
InChI=1S/C23H33N3O4S2/c1-23(2)13-22(28)26(19-5-3-4-6-20(19)31-23)15-21(27)25-17-9-7-16(8-10-17)14-24-32(29,30)18-11-12-18/h3-6,16-18,24H,7-15H2,1-2H3,(H,25,27)/t16-,17-
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| InChIKey |
CAFNXYFWAJEYHZ-QAQDUYKDSA-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