General Information of the Compound
| Compound ID |
CP0949380
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| Compound Name |
(2R)-2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
Cc1cccc(N2CCN(C[C@H]3CC(=O)c4ccccc4O3)CC2)c1C
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| InChI |
InChI=1S/C22H26N2O2/c1-16-6-5-8-20(17(16)2)24-12-10-23(11-13-24)15-18-14-21(25)19-7-3-4-9-22(19)26-18/h3-9,18H,10-15H2,1-2H3/t18-/m1/s1
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| InChIKey |
RQSLEJWOSGHYJH-GOSISDBHSA-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