General Information of the Compound
| Compound ID |
CP0160603
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| Compound Name |
4-[1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-6-yl]morpholine
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| Structure |
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| Formula |
C28H28FN5O
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| Molecular Weight |
469.564
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| Canonical SMILES |
Cc1c(nc2cc(F)ccc2c1N1CC(C)(C)c2ncc(cc12)N1CCOCC1)-c1ccccn1
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| InChI |
InChI=1S/C28H28FN5O/c1-18-25(22-6-4-5-9-30-22)32-23-14-19(29)7-8-21(23)26(18)34-17-28(2,3)27-24(34)15-20(16-31-27)33-10-12-35-13-11-33/h4-9,14-16H,10-13,17H2,1-3H3
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| InChIKey |
SDIGQYAPYHZBDJ-UHFFFAOYSA-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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