General Information of the Compound
| Compound ID |
CP0410753
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| Compound Name |
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-naphthalen-2-yltriazol-1-yl)butan-2-ol
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| Structure |
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| Formula |
C27H31N5O2
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| Molecular Weight |
457.578
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| Canonical SMILES |
COc1ccccc1N1CCN(CC(O)CCn2cc(nn2)-c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C27H31N5O2/c1-34-27-9-5-4-8-26(27)31-16-14-30(15-17-31)19-24(33)12-13-32-20-25(28-29-32)23-11-10-21-6-2-3-7-22(21)18-23/h2-11,18,20,24,33H,12-17,19H2,1H3
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| InChIKey |
RVHFWBPKTMLXIB-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor