General Information of the Compound
| Compound ID |
CP0315174
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| Compound Name |
4-[2-(4-methylphenyl)-5-[[(3S)-pyrrolidin-3-yl]methoxy]pyridin-3-yl]benzonitrile
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| Structure |
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| Formula |
C24H23N3O
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| Molecular Weight |
369.468
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| Canonical SMILES |
Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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| InChIKey |
IQVDLEXWAPYWDT-IBGZPJMESA-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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