General Information of the Compound
| Compound ID |
CP0488084
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| Compound Name |
CHEMBL520715
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| Formula |
C26H28ClNO2S
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| Molecular Weight |
454.035
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| Canonical SMILES |
Clc1ccc(CCN([C@H]2CC[C@]3(CCCO3)CC2)C(=O)c2csc3ccccc23)cc1
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| InChI |
InChI=1S/C26H28ClNO2S/c27-20-8-6-19(7-9-20)12-16-28(21-10-14-26(15-11-21)13-3-17-30-26)25(29)23-18-31-24-5-2-1-4-22(23)24/h1-2,4-9,18,21H,3,10-17H2/t21-,26+
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| InChIKey |
XWVMLKKVRJEPAU-PGCGBBBBSA-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