General Information of the Compound
| Compound ID |
CP0838648
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| Compound Name |
(1R,2S,3R,5S)-3-(4-amino-5-methyl-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 |
C24H28N6O2
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| Molecular Weight |
432.528
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| Canonical SMILES |
CNc1ccc2ccc(CC[C@H]3C[C@@H](n4cc(C)c5c(N)ncnc54)[C@H](O)[C@@H]3O)cc2n1
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| InChI |
InChI=1S/C24H28N6O2/c1-13-11-30(24-20(13)23(25)27-12-28-24)18-10-16(21(31)22(18)32)6-4-14-3-5-15-7-8-19(26-2)29-17(15)9-14/h3,5,7-9,11-12,16,18,21-22,31-32H,4,6,10H2,1-2H3,(H,26,29)(H2,25,27,28)/t16-,18+,21+,22-/m0/s1
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| InChIKey |
FTPSZKPQBZORGY-MZTRBVECSA-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