General Information of the Compound
| Compound ID |
CP0121895
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| Compound Name |
1-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenyl]-4-propan-2-ylpiperazine
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| Structure |
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| Formula |
C28H35N3O3
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| Molecular Weight |
461.606
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCN(CC1)C(C)C
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| InChI |
InChI=1S/C28H35N3O3/c1-19(2)30-11-13-31(14-12-30)23-9-7-21(8-10-23)24-17-29-18-25(20(24)3)22-15-26(32-4)28(34-6)27(16-22)33-5/h7-10,15-19H,11-14H2,1-6H3
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| InChIKey |
ZDZMGLNKGDDURP-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