General Information of the Compound
| Compound ID |
CP0067192
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| Compound Name |
(1R,2S,3R,5R)-3-[[2-[(2-cyclopropyloxypyridin-4-yl)amino]-5-quinolin-2-ylpyrimidin-4-yl]amino]-5-(hydroxymethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C27H28N6O4
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| Molecular Weight |
500.559
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| Canonical SMILES |
OC[C@H]1C[C@@H](Nc2nc(Nc3ccnc(OC4CC4)c3)ncc2-c2ccc3ccccc3n2)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C27H28N6O4/c34-14-16-11-22(25(36)24(16)35)32-26-19(21-8-5-15-3-1-2-4-20(15)31-21)13-29-27(33-26)30-17-9-10-28-23(12-17)37-18-6-7-18/h1-5,8-10,12-13,16,18,22,24-25,34-36H,6-7,11,14H2,(H2,28,29,30,32,33)/t16-,22-,24-,25+/m1/s1
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| InChIKey |
UIGJXMQBTZRJST-MJKPMQHNSA-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