General Information of the Compound
| Compound ID |
CP0013807
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| Compound Name |
(1R,2S,3R,5S)-3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-5-(2-quinolin-7-ylethyl)cyclopentane-1,2-diol
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
Nc1ncnc2n(ccc12)[C@@H]1C[C@H](CCc2ccc3cccnc3c2)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C22H23N5O2/c23-21-16-7-9-27(22(16)26-12-25-21)18-11-15(19(28)20(18)29)6-4-13-3-5-14-2-1-8-24-17(14)10-13/h1-3,5,7-10,12,15,18-20,28-29H,4,6,11H2,(H2,23,25,26)/t15-,18+,19+,20-/m0/s1
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| InChIKey |
XINDTHWOOIIELL-OBZTUIKSSA-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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