General Information of the Compound
| Compound ID |
CP0486822
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| Compound Name |
(1,4-diazepan-1-yl)(1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2,5-dimethyl-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C25H31N3O4S
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| Molecular Weight |
469.607
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| Canonical SMILES |
COc1ccc(c(C)c1C)S(=O)(=O)n1c(C)c(C(=O)N2CCCNCC2)c2cc(C)ccc12
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| InChI |
InChI=1S/C25H31N3O4S/c1-16-7-8-21-20(15-16)24(25(29)27-13-6-11-26-12-14-27)19(4)28(21)33(30,31)23-10-9-22(32-5)17(2)18(23)3/h7-10,15,26H,6,11-14H2,1-5H3
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| InChIKey |
YUVVSNARIWMFSU-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