General Information of the Compound
| Compound ID |
CP0120601
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| Compound Name |
3-[[4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C20H23N7O2S
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| Molecular Weight |
425.518
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| Canonical SMILES |
CN1CCN(CC1)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C20H23N7O2S/c1-26-9-11-27(12-10-26)19-13-15(5-7-22-19)18-6-8-23-20(25-18)24-16-3-2-4-17(14-16)30(21,28)29/h2-8,13-14H,9-12H2,1H3,(H2,21,28,29)(H,23,24,25)
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| InChIKey |
WWIORRXZBVZYMW-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