General Information of the Compound
| Compound ID |
CP0490922
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| Compound Name |
N-[3-[2-amino-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxyphenyl]benzenesulfonamide
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| Structure |
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| Formula |
C28H29N5O3S
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| Molecular Weight |
515.639
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccccc2)cc(c1)-c1cc(cnc1N)-c1ccc(cc1)N1CCNCC1
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| InChI |
InChI=1S/C28H29N5O3S/c1-36-25-16-21(15-23(18-25)32-37(34,35)26-5-3-2-4-6-26)27-17-22(19-31-28(27)29)20-7-9-24(10-8-20)33-13-11-30-12-14-33/h2-10,15-19,30,32H,11-14H2,1H3,(H2,29,31)
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| InChIKey |
JBTJGPURAPMJSS-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