General Information of the Compound
| Compound ID |
CP0106495
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| Compound Name |
N-[4-[[3-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]-2,6-dioxo-7H-purin-8-yl]methyl]phenyl]pyridine-3-sulfonamide
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| Structure |
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| Formula |
C28H25FN6O4S
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| Molecular Weight |
560.611
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| Canonical SMILES |
Fc1ccccc1Cn1c(=O)n(CC2CC2)c2nc(Cc3ccc(NS(=O)(=O)c4cccnc4)cc3)[nH]c2c1=O
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| InChI |
InChI=1S/C28H25FN6O4S/c29-23-6-2-1-4-20(23)17-35-27(36)25-26(34(28(35)37)16-19-7-8-19)32-24(31-25)14-18-9-11-21(12-10-18)33-40(38,39)22-5-3-13-30-15-22/h1-6,9-13,15,19,33H,7-8,14,16-17H2,(H,31,32)
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| InChIKey |
YHOIVHSSQFCUQM-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