General Information of the Compound
| Compound ID |
CP0429283
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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-(4-fluorophenyl)pyrazol-4-yl]methyl]butanamide
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| Structure |
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| Formula |
C24H28FN9O4S
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| Molecular Weight |
557.612
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| Canonical SMILES |
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cnn(c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H28FN9O4S/c25-14-1-3-15(4-2-14)34-9-13(8-32-34)7-28-23(37)16(26)5-6-39-10-17-19(35)20(36)24(38-17)33-12-31-18-21(27)29-11-30-22(18)33/h1-4,8-9,11-12,16-17,19-20,24,35-36H,5-7,10,26H2,(H,28,37)(H2,27,29,30)/t16-,17+,19+,20+,24+/m0/s1
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| InChIKey |
ITCAMHKBWAUSKR-IKEGABRUSA-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