General Information of the Compound
| Compound ID |
CP0335232
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| Compound Name |
5-[1-(2,5-dimethylphenyl)sulfonyl-4-piperidinyl]-3-[(4-methylphenyl)methyl]-2H-triazolo[4,5-d]pyrimidin-7-one
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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 |
Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)cc1
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| InChI |
InChI=1S/C25H28N6O3S/c1-16-5-8-19(9-6-16)15-31-24-22(28-29-31)25(32)27-23(26-24)20-10-12-30(13-11-20)35(33,34)21-14-17(2)4-7-18(21)3/h4-9,14,20H,10-13,15H2,1-3H3,(H,26,27,32)
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| InChIKey |
RPUZVOGBSPSARV-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3