General Information of the Compound
| Compound ID |
CP0576787
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| Compound Name |
N-(cyclopropylmethyl)-4-[[5,8-dimethyl-7-(2-methylphenyl)-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C25H28N6O3S
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| Molecular Weight |
492.605
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| Canonical SMILES |
CN1C(C(=O)N(C)c2cnc(Nc3ccc(cc3)S(=O)(=O)NCC3CC3)nc12)c1ccccc1C
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| InChI |
InChI=1S/C25H28N6O3S/c1-16-6-4-5-7-20(16)22-24(32)30(2)21-15-26-25(29-23(21)31(22)3)28-18-10-12-19(13-11-18)35(33,34)27-14-17-8-9-17/h4-7,10-13,15,17,22,27H,8-9,14H2,1-3H3,(H,26,28,29)
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| InChIKey |
ZETIGJJLCPNAGG-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