General Information of the Compound
| Compound ID |
CP0168335
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| Compound Name |
7-(3-(azetidin-1-ylmethyl)cyclobutyl)-5-(4-(benzyloxy)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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| Formula |
C27H29N5O
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| Molecular Weight |
439.563
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3ccc(OCc4ccccc4)cc3)c12)[C@@H]1C[C@H](CN2CCC2)C1
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| InChI |
InChI=1S/C27H29N5O/c28-26-25-24(21-7-9-23(10-8-21)33-17-19-5-2-1-3-6-19)16-32(27(25)30-18-29-26)22-13-20(14-22)15-31-11-4-12-31/h1-3,5-10,16,18,20,22H,4,11-15,17H2,(H2,28,29,30)/t20-,22+
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| InChIKey |
MJEHBQIPZHTMNZ-GRGXKFILSA-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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