General Information of the Compound
| Compound ID |
CP0574518
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| Compound Name |
4-[(5',8'-dimethyl-6'-oxospiro[cyclohexane-1,7'-pteridine]-2'-yl)amino]benzenesulfonamide
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| Structure |
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| Formula |
C19H24N6O3S
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| Molecular Weight |
416.507
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| Canonical SMILES |
CN1C(=O)C2(CCCCC2)N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc12
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| InChI |
InChI=1S/C19H24N6O3S/c1-24-15-12-21-18(22-13-6-8-14(9-7-13)29(20,27)28)23-16(15)25(2)19(17(24)26)10-4-3-5-11-19/h6-9,12H,3-5,10-11H2,1-2H3,(H2,20,27,28)(H,21,22,23)
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| InChIKey |
GEGRZEABKQKJHU-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