General Information of the Compound
| Compound ID |
CP0222528
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| Compound Name |
2-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)pyrido[2,3-d]pyrimidin-7(8H)-one
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| Structure |
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| Formula |
C21H23Cl2N5O2
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| Molecular Weight |
448.354
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCOc3ncc4ccc(=O)[nH]c4n3)CC2)c1Cl
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| InChI |
InChI=1S/C21H23Cl2N5O2/c22-16-4-3-5-17(19(16)23)28-11-9-27(10-12-28)8-1-2-13-30-21-24-14-15-6-7-18(29)25-20(15)26-21/h3-7,14H,1-2,8-13H2,(H,24,25,26,29)
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| InChIKey |
ONWXXZNGMBXUOA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor