General Information of the Compound
Compound ID |
CP0440088
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Compound Name |
(2S,3S,4R,5R)-5-(6-{bis[(5-chloropyridin-2-yl)carbamoyl]amino}-9H-purin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
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Structure |
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Formula |
C24H22Cl2N10O6
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Molecular Weight |
617.41
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Canonical SMILES |
CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(ncnc12)N(C(=O)Nc1ccc(Cl)cn1)C(=O)Nc1ccc(Cl)cn1
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InChI |
InChI=1S/C24H22Cl2N10O6/c1-2-27-21(39)18-16(37)17(38)22(42-18)35-10-32-15-19(35)30-9-31-20(15)36(23(40)33-13-5-3-11(25)7-28-13)24(41)34-14-6-4-12(26)8-29-14/h3-10,16-18,22,37-38H,2H2,1H3,(H,27,39)(H,28,33,40)(H,29,34,41)/t16-,17+,18-,22+/m0/s1
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InChIKey |
LJGLCROUFKPYMM-RQXXJAGISA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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