General Information of the Compound
| Compound ID |
CP0494335
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| Compound Name |
CHEMBL445613
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| Formula |
C27H32N2O4S
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| Molecular Weight |
480.63
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| Canonical SMILES |
O=S(=O)(NC[C@H]1CC[C@H](CNCc2ccc3OCCOc3c2)CC1)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H32N2O4S/c30-34(31,27-7-3-5-23-4-1-2-6-24(23)27)29-19-21-10-8-20(9-11-21)17-28-18-22-12-13-25-26(16-22)33-15-14-32-25/h1-7,12-13,16,20-21,28-29H,8-11,14-15,17-19H2/t20-,21-
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| InChIKey |
DEQLKPULTLAOCN-MEMLXQNLSA-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