General Information of the Compound
| Compound ID |
CP0942733
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| Compound Name |
[(2R,3S,4R)-4-[[(2S)-5-(diethylamino)pentan-2-yl]amino]-2-methyl-1,2,3,4-tetrahydroquinolin-3-yl] 4-methylbenzoate
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| Structure |
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| Formula |
C27H39N3O2
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| Molecular Weight |
437.628
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| Canonical SMILES |
CCN(CC)CCC[C@H](C)N[C@@H]1c2ccccc2N[C@H](C)[C@@H]1OC(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C27H39N3O2/c1-6-30(7-2)18-10-11-20(4)28-25-23-12-8-9-13-24(23)29-21(5)26(25)32-27(31)22-16-14-19(3)15-17-22/h8-9,12-17,20-21,25-26,28-29H,6-7,10-11,18H2,1-5H3/t20-,21+,25+,26-/m0/s1
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| InChIKey |
QOPNIRIEEPCFMN-MZFMZNHHSA-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