General Information of the Compound
| Compound ID |
CP0562224
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| Compound Name |
N-[[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]methyl]bicyclo[2.2.2]octa-2,5-diene-2-carboxamide
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| Formula |
C26H28N6O5
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| Molecular Weight |
504.547
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccc(CNC(=O)C4=CC5CCC4C=C5)cc3)ncnc12
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| InChI |
InChI=1S/C26H28N6O5/c33-11-19-21(34)22(35)26(37-19)32-13-30-20-23(28-12-29-24(20)32)31-17-7-3-15(4-8-17)10-27-25(36)18-9-14-1-5-16(18)6-2-14/h1,3-5,7-9,12-14,16,19,21-22,26,33-35H,2,6,10-11H2,(H,27,36)(H,28,29,31)/t14?,16?,19-,21-,22-,26-/m1/s1
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| InChIKey |
JGNGRXWZPWZGGS-ZGPWSGRESA-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