General Information of the Compound
| Compound ID |
CP0412108
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| Compound Name |
1H-indol-2-yl-[4-[2-(4-methoxyphenoxy)propyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COc1ccc(OC(C)CN2CCN(CC2)C(=O)c2cc3ccccc3[nH]2)cc1
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| InChI |
InChI=1S/C23H27N3O3/c1-17(29-20-9-7-19(28-2)8-10-20)16-25-11-13-26(14-12-25)23(27)22-15-18-5-3-4-6-21(18)24-22/h3-10,15,17,24H,11-14,16H2,1-2H3
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| InChIKey |
YVEBIHRSAGYHFR-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