General Information of the Compound
| Compound ID |
CP0525509
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| Compound Name |
3-(4-(dimethylamino)phenyl)-1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-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(cc2)N(C)C)c(OCC(O)CN2CCN(CC2)c2ccccc2C)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
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| InChIKey |
GKSSPUKWZUWPCQ-UHFFFAOYSA-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