General Information of the Compound
| Compound ID |
CP0252578
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| Compound Name |
3-[[4-[2-(diethylamino)pyridin-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C19H22N6O2S
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| Molecular Weight |
398.492
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| Canonical SMILES |
CCN(CC)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
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| InChI |
InChI=1S/C19H22N6O2S/c1-3-25(4-2)18-12-14(8-10-21-18)17-9-11-22-19(24-17)23-15-6-5-7-16(13-15)28(20,26)27/h5-13H,3-4H2,1-2H3,(H2,20,26,27)(H,22,23,24)
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| InChIKey |
CICSYFWWWTXRPT-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