General Information of the Compound
| Compound ID |
CP0014390
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| Compound Name |
(2R,3S,4R,5R)-2-[[(2S)-2-(2-aminoethyl)pyrrolidin-1-yl]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
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| Structure |
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| Formula |
C16H25N7O3
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| Molecular Weight |
363.422
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| Canonical SMILES |
NCC[C@@H]1CCCN1C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C16H25N7O3/c17-4-3-9-2-1-5-22(9)6-10-12(24)13(25)16(26-10)23-8-21-11-14(18)19-7-20-15(11)23/h7-10,12-13,16,24-25H,1-6,17H2,(H2,18,19,20)/t9-,10+,12+,13+,16+/m0/s1
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| InChIKey |
VXDZQEMICWJXQW-UOYPZJKHSA-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