General Information of the Compound
| Compound ID |
CP0317073
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| Compound Name |
4-N-(1H-indazol-4-yl)-4-N-methyl-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H18N6O2S
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| Molecular Weight |
394.46
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| Canonical SMILES |
CN(c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1)c1cccc2[nH]ncc12
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| InChI |
InChI=1S/C19H18N6O2S/c1-25(17-8-4-7-16-15(17)12-21-24-16)18-9-10-20-19(23-18)22-13-5-3-6-14(11-13)28(2,26)27/h3-12H,1-2H3,(H,21,24)(H,20,22,23)
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| InChIKey |
JOABAWGYHATDTA-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