General Information of the Compound
| Compound ID |
CP0968364
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| Compound Name |
(1R,2S,3R,5S)-3-(4-amino-5-cyclopentyl-pyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(methylamino)-7-quinolyl]ethyl]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C28H34N6O2
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| Molecular Weight |
486.62
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| Canonical SMILES |
CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C5CCCC5)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C28H34N6O2/c1-30-23-11-10-18-8-6-16(12-21(18)33-23)7-9-19-13-22(26(36)25(19)35)34-14-20(17-4-2-3-5-17)24-27(29)31-15-32-28(24)34/h6,8,10-12,14-15,17,19,22,25-26,35-36H,2-5,7,9,13H2,1H3,(H,30,33)(H2,29,31,32)/t19-,22+,25+,26-/m0/s1
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| InChIKey |
YEIAAXUQNYQPKB-VCSRXXJTSA-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