General Information of the Compound
| Compound ID |
CP0513420
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| Compound Name |
US9067871, 57
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| Structure |
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| Formula |
C24H28ClN3O3S2
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| Molecular Weight |
506.093
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| Canonical SMILES |
Cc1nc(C)c(s1)S(=O)(=O)NCCOc1ccc2CCC(N)C(Cc3cccc(Cl)c3)c2c1
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| InChI |
InChI=1S/C24H28ClN3O3S2/c1-15-24(32-16(2)28-15)33(29,30)27-10-11-31-20-8-6-18-7-9-23(26)22(21(18)14-20)13-17-4-3-5-19(25)12-17/h3-6,8,12,14,22-23,27H,7,9-11,13,26H2,1-2H3
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| InChIKey |
HTDBTSXFIVYBHE-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