General Information of the Compound
| Compound ID |
CP0406376
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| Compound Name |
CHEMBL16877
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| Formula |
C23H28N2O3S
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| Molecular Weight |
412.555
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| Canonical SMILES |
COc1ccccc1C(=O)NC[C@]1(CC[C@@H](CC1)NC(=O)SC)c1ccccc1
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| InChI |
InChI=1S/C23H28N2O3S/c1-28-20-11-7-6-10-19(20)21(26)24-16-23(17-8-4-3-5-9-17)14-12-18(13-15-23)25-22(27)29-2/h3-11,18H,12-16H2,1-2H3,(H,24,26)(H,25,27)/t18-,23+
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| InChIKey |
ZYFFPUYDMLLXMK-QRTMHTFLSA-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