General Information of the Compound
| Compound ID |
CP0564937
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| Compound Name |
US9067871, 83
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| Structure |
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| Formula |
C23H29ClN2O3S
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| Molecular Weight |
449.016
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| Canonical SMILES |
CCCS(=O)(=O)N1CC(C1)Oc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C23H29ClN2O3S/c1-2-10-30(27,28)26-14-20(15-26)29-19-8-6-17-7-9-23(25)22(21(17)13-19)12-16-4-3-5-18(24)11-16/h3-6,8,11,13,20,22-23H,2,7,9-10,12,14-15,25H2,1H3
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| InChIKey |
ZEHJDLQFSGUSOK-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