General Information of the Compound
| Compound ID |
CP0402903
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| Compound Name |
2-[4-(3,4-Dichloro-phenyl)-piperazin-1-ylmethyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C20H18Cl2N4
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| Molecular Weight |
385.298
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| Canonical SMILES |
Clc1ccc(cc1Cl)N1CCN(Cc2cc3cc(ccc3[nH]2)C#N)CC1
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| InChI |
InChI=1S/C20H18Cl2N4/c21-18-3-2-17(11-19(18)22)26-7-5-25(6-8-26)13-16-10-15-9-14(12-23)1-4-20(15)24-16/h1-4,9-11,24H,5-8,13H2
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| InChIKey |
PSGJGQIYXBOEED-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