General Information of the Compound
| Compound ID |
CP0964191
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| Compound Name |
4-amino-5-[3-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylamino]propyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
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| Structure |
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| Formula |
C22H31N9O7
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| Molecular Weight |
533.546
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| Canonical SMILES |
Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CCCNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C22H31N9O7/c23-18-10(6-30(22(36)29-18)14-4-11(33)13(7-32)37-14)2-1-3-25-5-12-16(34)17(35)21(38-12)31-9-28-15-19(24)26-8-27-20(15)31/h6,8-9,11-14,16-17,21,25,32-35H,1-5,7H2,(H2,23,29,36)(H2,24,26,27)/t11-,12+,13+,14+,16+,17+,21+/m0/s1
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| InChIKey |
ACVXXVOFCAHBAT-HJKWLTBHSA-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