General Information of the Compound
| Compound ID |
CP0101685
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| Compound Name |
propan-2-yl N-[(2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamate
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| Structure |
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| Formula |
C20H24N2O4
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| Molecular Weight |
356.422
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| Canonical SMILES |
CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)-c1ccco1
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| InChI |
InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1
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| InChIKey |
OZBRAEGGHPSXJE-SUMWQHHRSA-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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Table of Molecular Bioactivities Related to the Compound