General Information of the Compound
| Compound ID |
CP0826631
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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-(ethylamino)-7-quinolyl]ethyl]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C29H36N6O2
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| Molecular Weight |
500.647
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| Canonical SMILES |
CCNc1ccc2ccc(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/C29H36N6O2/c1-2-31-24-12-11-19-9-7-17(13-22(19)34-24)8-10-20-14-23(27(37)26(20)36)35-15-21(18-5-3-4-6-18)25-28(30)32-16-33-29(25)35/h7,9,11-13,15-16,18,20,23,26-27,36-37H,2-6,8,10,14H2,1H3,(H,31,34)(H2,30,32,33)/t20-,23+,26+,27-/m0/s1
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| InChIKey |
BGCKJGGGLKPVIF-CYDBCKOSSA-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