General Information of the Compound
| Compound ID |
CP0380400
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| Compound Name |
CHEMBL3622353
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| Formula |
C24H29N3O6S
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| Molecular Weight |
487.578
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)OC(=O)NCCO)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C24H29N3O6S/c1-32-19-8-5-9-20-21(19)22(27-34(20,30)31)26-16-24(17-6-3-2-4-7-17)12-10-18(11-13-24)33-23(29)25-14-15-28/h2-9,18,28H,10-16H2,1H3,(H,25,29)(H,26,27)/t18-,24-
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| InChIKey |
SVLXZYASOQYEPQ-XZMJRDFISA-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