General Information of the Compound
| Compound ID |
CP0942729
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| Compound Name |
3-[4-(dimethylamino)phenyl]-1-[2-[(2R)-2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]-4-methoxyphenyl]propan-1-one
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| Structure |
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| Formula |
C32H41N3O4
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| Molecular Weight |
531.697
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| Canonical SMILES |
COc1ccc(C(=O)CCc2ccc(N(C)C)cc2)c(OC[C@H](O)CN2CCN(c3ccccc3C)CC2)c1
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| InChI |
InChI=1S/C32H41N3O4/c1-24-7-5-6-8-30(24)35-19-17-34(18-20-35)22-27(36)23-39-32-21-28(38-4)14-15-29(32)31(37)16-11-25-9-12-26(13-10-25)33(2)3/h5-10,12-15,21,27,36H,11,16-20,22-23H2,1-4H3/t27-/m1/s1
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| InChIKey |
GKSSPUKWZUWPCQ-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