General Information of the Compound
| Compound ID |
CP0396893
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| Compound Name |
(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine
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| Structure |
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| Formula |
C22H25Cl2N5O2
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| Molecular Weight |
462.381
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| Canonical SMILES |
O\N=C\c1cc2cc(OCCCCN3CCN(CC3)c3cccc(Cl)c3Cl)ccn2n1
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| InChI |
InChI=1S/C22H25Cl2N5O2/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-31-19-6-8-29-18(15-19)14-17(26-29)16-25-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b25-16+
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| InChIKey |
VMDJSIGZJOXSGC-PCLIKHOPSA-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