General Information of the Compound
| Compound ID |
CP0419694
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| Compound Name |
2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-N-butylbutanamide
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| Structure |
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| Formula |
C18H29N7O4S
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| Molecular Weight |
439.542
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| Canonical SMILES |
CCCCNC(=O)C(N)CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C18H29N7O4S/c1-2-3-5-21-17(28)10(19)4-6-30-7-11-13(26)14(27)18(29-11)25-9-24-12-15(20)22-8-23-16(12)25/h8-11,13-14,18,26-27H,2-7,19H2,1H3,(H,21,28)(H2,20,22,23)/t10?,11-,13-,14-,18-/m1/s1
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| InChIKey |
QSOKFLSAYZSJRX-KJOCFMIJSA-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