General Information of the Compound
| Compound ID |
CP0462659
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| Compound Name |
US9067871, 68
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| Structure |
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| Formula |
C24H27ClN2O3S2
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| Molecular Weight |
491.078
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| Canonical SMILES |
Cc1ccc(s1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C24H27ClN2O3S2/c1-16-5-10-24(31-16)32(28,29)27-11-12-30-20-8-6-18-7-9-23(26)22(21(18)15-20)14-17-3-2-4-19(25)13-17/h2-6,8,10,13,15,22-23,27H,7,9,11-12,14,26H2,1H3
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| InChIKey |
AOZSMPRYQYZXQG-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