General Information of the Compound
| Compound ID |
CP0948389
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| Compound Name |
[(2R,3S,4S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methylphenyl)methanone
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| Structure |
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| Formula |
C29H33N3O2
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| Molecular Weight |
455.602
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| Canonical SMILES |
Cc1ccc(C(=O)N2c3ccccc3[C@H](N3CCN(Cc4ccccc4)CC3)[C@@H](O)[C@H]2C)cc1
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| InChI |
InChI=1S/C29H33N3O2/c1-21-12-14-24(15-13-21)29(34)32-22(2)28(33)27(25-10-6-7-11-26(25)32)31-18-16-30(17-19-31)20-23-8-4-3-5-9-23/h3-15,22,27-28,33H,16-20H2,1-2H3/t22-,27+,28+/m1/s1
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| InChIKey |
HBPWGGOPZBOTJO-WWEDSPNTSA-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