General Information of the Compound
| Compound ID |
CP0870292
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| Compound Name |
[(2R,3S,4S)-3-hydroxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
COc1ccccc1N1CCN([C@H]2c3ccccc3N(C(=O)c3ccc(C)cc3)[C@H](C)[C@@H]2O)CC1
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| InChI |
InChI=1S/C29H33N3O3/c1-20-12-14-22(15-13-20)29(34)32-21(2)28(33)27(23-8-4-5-9-24(23)32)31-18-16-30(17-19-31)25-10-6-7-11-26(25)35-3/h4-15,21,27-28,33H,16-19H2,1-3H3/t21-,27+,28+/m1/s1
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| InChIKey |
VFQKMXCVFNZODU-MHWRTBLVSA-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