General Information of the Compound
| Compound ID |
CP0055287
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| Compound Name |
CHEMBL3622360
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| Formula |
C25H31N3O5S
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| Molecular Weight |
485.606
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| Canonical SMILES |
COc1cccc2c1C(NC[C@@]1(CC[C@@H](CC1)NC(=O)OC(C)C)c1ccccc1)=NS2(=O)=O
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| InChI |
InChI=1S/C25H31N3O5S/c1-17(2)33-24(29)27-19-12-14-25(15-13-19,18-8-5-4-6-9-18)16-26-23-22-20(32-3)10-7-11-21(22)34(30,31)28-23/h4-11,17,19H,12-16H2,1-3H3,(H,26,28)(H,27,29)/t19-,25-
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| InChIKey |
QWHKGOUNYNQXJA-FEHRVWHQSA-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