General Information of the Compound
| Compound ID |
CP0471869
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| Compound Name |
N-(4,6-dimethylpyrimidin-2-yl)-4-[2-(4-methoxy-3-methylphenyl)-5-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydroindol-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C33H40N6O3S
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| Molecular Weight |
600.789
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| Canonical SMILES |
COc1ccc(cc1C)-c1cc2CC(CCc2n1-c1ccc(cc1)S(=O)(=O)Nc1nc(C)cc(C)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C33H40N6O3S/c1-22-18-25(6-13-32(22)42-5)31-21-26-20-28(38-16-14-37(4)15-17-38)9-12-30(26)39(31)27-7-10-29(11-8-27)43(40,41)36-33-34-23(2)19-24(3)35-33/h6-8,10-11,13,18-19,21,28H,9,12,14-17,20H2,1-5H3,(H,34,35,36)
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| InChIKey |
MGOJZSOBJZSKPZ-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