General Information of the Compound
| Compound ID |
CP0576784
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| Compound Name |
4-[[(1R,2R)-2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]cyclopentyl]oxymethyl]benzamide
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| Structure |
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| Formula |
C23H28N6O6
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| Molecular Weight |
484.513
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| Canonical SMILES |
NC(=O)c1ccc(CO[C@@H]2CCC[C@H]2Nc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C23H28N6O6/c24-20(33)13-6-4-12(5-7-13)9-34-15-3-1-2-14(15)28-21-17-22(26-10-25-21)29(11-27-17)23-19(32)18(31)16(8-30)35-23/h4-7,10-11,14-16,18-19,23,30-32H,1-3,8-9H2,(H2,24,33)(H,25,26,28)/t14-,15-,16-,18-,19-,23-/m1/s1
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| InChIKey |
KPONHBIIXAVKPD-DACRQWOZSA-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