General Information of the Compound
| Compound ID |
CP0503336
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| Compound Name |
(4-{2-[4-(2,3-Dichloro-phenyl)-piperazin-1-yl]-ethyl}-cyclohexyl)-pyrimidin-2-yl-amine
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| Formula |
C22H29Cl2N5
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| Molecular Weight |
434.415
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| Canonical SMILES |
Clc1cccc(N2CCN(CC[C@H]3CC[C@@H](CC3)Nc3ncccn3)CC2)c1Cl
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| InChI |
InChI=1S/C22H29Cl2N5/c23-19-3-1-4-20(21(19)24)29-15-13-28(14-16-29)12-9-17-5-7-18(8-6-17)27-22-25-10-2-11-26-22/h1-4,10-11,17-18H,5-9,12-16H2,(H,25,26,27)/t17-,18-
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| InChIKey |
FOQMHNUCQRZHMO-IYARVYRRSA-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