General Information of the Compound
| Compound ID |
CP0776534
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| Compound Name |
(2R,3R,4S,5R)-2-(4-amino-5-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(methylamino)-7-quinolyl]ethyl]tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C27H32N6O3
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| Molecular Weight |
488.592
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| Canonical SMILES |
CNc1ccc2ccc(CC[C@H]3O[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C27H32N6O3/c1-29-21-11-9-17-8-6-15(12-19(17)32-21)7-10-20-23(34)24(35)27(36-20)33-13-18(16-4-2-3-5-16)22-25(28)30-14-31-26(22)33/h6,8-9,11-14,16,20,23-24,27,34-35H,2-5,7,10H2,1H3,(H,29,32)(H2,28,30,31)/t20-,23-,24-,27-/m1/s1
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| InChIKey |
WCHGZXSHHGBVRF-ZCIWVVNKSA-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