General Information of the Compound
| Compound ID |
CP0464877
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| Compound Name |
US9233953, 139
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| Structure |
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| Formula |
C21H26N2O4S2
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| Molecular Weight |
434.583
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| Canonical SMILES |
COc1cccc(c1)N1CCN(C(C1)c1cccs1)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C21H26N2O4S2/c1-27-18-5-2-4-17(14-18)22-9-10-23(19(15-22)20-6-3-11-28-20)21(24)16-7-12-29(25,26)13-8-16/h2-6,11,14,16,19H,7-10,12-13,15H2,1H3
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| InChIKey |
HBUQZZMAFNAKMR-UHFFFAOYSA-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