General Information of the Compound
| Compound ID |
CP0967181
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| Compound Name |
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-[2-(dimethylamino)-7-quinolyl]ethyl]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
CN(C)c1ccc2ccc(CC[C@H]3C[C@@H](n4ccc5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C24H28N6O2/c1-29(2)20-8-7-15-5-3-14(11-18(15)28-20)4-6-16-12-19(22(32)21(16)31)30-10-9-17-23(25)26-13-27-24(17)30/h3,5,7-11,13,16,19,21-22,31-32H,4,6,12H2,1-2H3,(H2,25,26,27)/t16-,19+,21+,22-/m0/s1
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| InChIKey |
PKDWWYHNKYEKTE-MQYXYMALSA-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