General Information of the Compound
| Compound ID |
CP0378662
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| Compound Name |
(2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]butanamide
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| Structure |
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| Formula |
C25H31N9O4S
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| Molecular Weight |
553.649
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| Canonical SMILES |
Cc1ccccc1-n1cc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cn1
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| InChI |
InChI=1S/C25H31N9O4S/c1-14-4-2-3-5-17(14)34-10-15(9-32-34)8-28-24(37)16(26)6-7-39-11-18-20(35)21(36)25(38-18)33-13-31-19-22(27)29-12-30-23(19)33/h2-5,9-10,12-13,16,18,20-21,25,35-36H,6-8,11,26H2,1H3,(H,28,37)(H2,27,29,30)/t16-,18+,20+,21+,25+/m0/s1
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| InChIKey |
CQBDBWQIYIAYAB-IFHDOPEGSA-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