General Information of the Compound
| Compound ID |
CP0471504
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| Compound Name |
(S)-6-(((1-(tert-butyl)-1H-1,2,3- triazol-4-yl)(6-fluoropyridin-3- yl)methyl-d)amino)-8-chloro-4- (neopentylamino)quinoline-3- carbonitrile
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| Structure |
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| Formula |
C21H26Cl2N4O2
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| Molecular Weight |
437.371
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| Canonical SMILES |
C[C@@H]1OCC2(CCN(CC2)c2nc(C)c(nc2CO)-c2cccc(Cl)c2Cl)[C@@H]1N
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| InChI |
InChI=1S/C21H26Cl2N4O2/c1-12-18(14-4-3-5-15(22)17(14)23)26-16(10-28)20(25-12)27-8-6-21(7-9-27)11-29-13(2)19(21)24/h3-5,13,19,28H,6-11,24H2,1-2H3/t13-,19+/m0/s1
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| InChIKey |
IKUYEYLZXGGCRD-ORAYPTAESA-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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