General Information of the Compound
| Compound ID |
CP0412994
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| Compound Name |
4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-[3-[(Z)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]butanamide
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| Structure |
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| Formula |
C22H24Cl2N6O2
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| Molecular Weight |
475.38
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| Canonical SMILES |
O\N=C/c1cnn2ccc(NC(=O)CCCN3CCN(CC3)c3cccc(Cl)c3Cl)cc12
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| InChI |
InChI=1S/C22H24Cl2N6O2/c23-18-3-1-4-19(22(18)24)29-11-9-28(10-12-29)7-2-5-21(31)27-17-6-8-30-20(13-17)16(14-25-30)15-26-32/h1,3-4,6,8,13-15,32H,2,5,7,9-12H2,(H,27,31)/b26-15-
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| InChIKey |
HQCCZCGQNSJNDG-YSMPRRRNSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor