General Information of the Compound
| Compound ID |
CP0088353
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| Compound Name |
(1S,6R)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C19H25N3O2
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| Molecular Weight |
327.428
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| Canonical SMILES |
C[C@@H]1CCCN1CCCOc1ccc(cc1)C1=NNC(=O)[C@H]2C[C@@H]12
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| InChI |
InChI=1S/C19H25N3O2/c1-13-4-2-9-22(13)10-3-11-24-15-7-5-14(6-8-15)18-16-12-17(16)19(23)21-20-18/h5-8,13,16-17H,2-4,9-12H2,1H3,(H,21,23)/t13-,16-,17+/m1/s1
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| InChIKey |
FJHKZEVPGYADEG-XYPHTWIQSA-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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