General Information of the Compound
| Compound ID |
CP0084931
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| Compound Name |
1-(2,3-dimethylphenyl)-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]indole
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| Structure |
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| Formula |
C28H31N3O
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| Molecular Weight |
425.576
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| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cn(-c3cccc(C)c3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C28H31N3O/c1-21-9-8-13-25(22(21)2)31-20-23(24-10-4-5-11-26(24)31)19-29-15-17-30(18-16-29)27-12-6-7-14-28(27)32-3/h4-14,20H,15-19H2,1-3H3
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| InChIKey |
YZLLXALPWFZYGD-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