General Information of the Compound
| Compound ID |
CP0939950
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| Compound Name |
1-[2-[(2R)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]-5-methylphenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C31H38N2O3
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| Molecular Weight |
486.656
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| Canonical SMILES |
Cc1ccc(OC[C@H](O)CN2CCN(c3cccc(C)c3C)CC2)c(C(=O)CCc2ccccc2)c1
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| InChI |
InChI=1S/C31H38N2O3/c1-23-12-15-31(28(20-23)30(35)14-13-26-9-5-4-6-10-26)36-22-27(34)21-32-16-18-33(19-17-32)29-11-7-8-24(2)25(29)3/h4-12,15,20,27,34H,13-14,16-19,21-22H2,1-3H3/t27-/m1/s1
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| InChIKey |
BTLCZTHZGMGQHS-HHHXNRCGSA-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