General Information of the Compound
| Compound ID |
CP0579714
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| Compound Name |
4-[(5',8'-dimethyl-6'-oxospiro[cyclopentane-1,7'-pteridine]-2'-yl)amino]benzenesulfonamide
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| Structure |
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| Formula |
C18H22N6O3S
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| Molecular Weight |
402.48
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| Canonical SMILES |
CN1C(=O)C2(CCCC2)N(C)c2nc(Nc3ccc(cc3)S(N)(=O)=O)ncc12
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| InChI |
InChI=1S/C18H22N6O3S/c1-23-14-11-20-17(21-12-5-7-13(8-6-12)28(19,26)27)22-15(14)24(2)18(16(23)25)9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H2,19,26,27)(H,20,21,22)
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| InChIKey |
ZCAXZEGVUAEBQW-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