General Information of the Compound
| Compound ID |
CP0425216
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| Compound Name |
CHEMBL4475552
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| Formula |
C25H33N3O4S
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| Molecular Weight |
471.623
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| Canonical SMILES |
Cc1c(O[C@H]2CC[C@@]3(COC(C)(C)C3)CC2)ncnc1N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C25H33N3O4S/c1-17-22(28-12-9-18-13-20(33(4,29)30)5-6-21(18)28)26-16-27-23(17)32-19-7-10-25(11-8-19)14-24(2,3)31-15-25/h5-6,13,16,19H,7-12,14-15H2,1-4H3/t19-,25+
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| InChIKey |
WVEXEDOIWDUCFB-KJDSRRNHSA-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