General Information of the Compound
| Compound ID |
CP0014041
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| Compound Name |
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-[2-(2-aminoquinolin-7-yl)ethyl]cyclopentane-1,2-diol
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| Structure |
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| Formula |
C22H24N6O2
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| Molecular Weight |
404.474
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| Canonical SMILES |
Nc1ccc2ccc(CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n3ccc4c(N)ncnc34)cc2n1
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| InChI |
InChI=1S/C22H24N6O2/c23-18-6-5-13-3-1-12(9-16(13)27-18)2-4-14-10-17(20(30)19(14)29)28-8-7-15-21(24)25-11-26-22(15)28/h1,3,5-9,11,14,17,19-20,29-30H,2,4,10H2,(H2,23,27)(H2,24,25,26)/t14-,17+,19+,20-/m0/s1
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| InChIKey |
IUBFXROFEOCTGQ-GVXRKXQCSA-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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