General Information of the Compound
| Compound ID |
CP0688915
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| Compound Name |
(R)-7-(quinuclidin-3-yl)-7,8-dihydropyrazolo[3,4,5-de]isoquinolin-6(2H)-one
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| Structure |
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| Formula |
C16H18N4O
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| Molecular Weight |
282.347
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| Canonical SMILES |
O=C1c2cccc3[nH]nc(c23)CN1[C@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C16H18N4O/c21-16-11-2-1-3-12-15(11)13(18-17-12)8-20(16)14-9-19-6-4-10(14)5-7-19/h1-3,10,14H,4-9H2,(H,17,18)/t14-/m0/s1
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| InChIKey |
PPGYKWQFGNLYIY-AWEZNQCLSA-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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