General Information of the Compound
| Compound ID |
CP0433761
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| Compound Name |
(S)-2-(1-(2-chlorophenoxy)propan-2-yl)-6-(piperazin-1-yl)pyridazin-3(2H)-one
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| Structure |
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| Formula |
C17H21ClN4O2
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| Molecular Weight |
348.834
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| Canonical SMILES |
C[C@@H](COc1ccccc1Cl)n1nc(ccc1=O)N1CCNCC1
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| InChI |
InChI=1S/C17H21ClN4O2/c1-13(12-24-15-5-3-2-4-14(15)18)22-17(23)7-6-16(20-22)21-10-8-19-9-11-21/h2-7,13,19H,8-12H2,1H3/t13-/m0/s1
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| InChIKey |
CANDRMATFQVMGD-ZDUSSCGKSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C