General Information of the Compound
| Compound ID |
CP0297100
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| Compound Name |
(+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl piperidine-1-carboxylate
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| Structure |
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| Formula |
C26H29F2N3O2
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| Molecular Weight |
453.533
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| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)N2CCCCC2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
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| InChI |
InChI=1S/C26H29F2N3O2/c1-15-20-19(30-26(2,3)24(15)33-25(32)31-12-5-4-6-13-31)14-18(27)21(22(20)28)17-9-7-8-16-10-11-29-23(16)17/h7-11,14-15,24,29-30H,4-6,12-13H2,1-3H3/t15-,24+/m0/s1
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| InChIKey |
RBEHJGHOIGQTML-IZHWHUGBSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound