General Information of the Compound
| Compound ID |
CP0403796
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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-[(5-cyclobutyl-1-methylpyrazol-3-yl)methyl]butanamide
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| Structure |
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| Formula |
C23H33N9O4S
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| Molecular Weight |
531.643
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| Canonical SMILES |
Cn1nc(CNC(=O)[C@@H](N)CCSC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1C1CCC1
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| InChI |
InChI=1S/C23H33N9O4S/c1-31-15(12-3-2-4-12)7-13(30-31)8-26-22(35)14(24)5-6-37-9-16-18(33)19(34)23(36-16)32-11-29-17-20(25)27-10-28-21(17)32/h7,10-12,14,16,18-19,23,33-34H,2-6,8-9,24H2,1H3,(H,26,35)(H2,25,27,28)/t14-,16+,18+,19+,23+/m0/s1
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| InChIKey |
ITWNOMFUGZGKAI-PLFAMDAPSA-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