General Information of the Compound
| Compound ID |
CP0436424
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| Compound Name |
4-methoxy-2-(methoxymethyl)-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
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| Structure |
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| Formula |
C21H29N3O4
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| Molecular Weight |
387.48
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| Canonical SMILES |
COCn1ncc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c(OC)c1=O
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| InChI |
InChI=1S/C21H29N3O4/c1-16-6-4-11-23(16)12-5-13-28-18-9-7-17(8-10-18)19-14-22-24(15-26-2)21(25)20(19)27-3/h7-10,14,16H,4-6,11-13,15H2,1-3H3/t16-/m1/s1
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| InChIKey |
QFWKZYMWFOWKMN-MRXNPFEDSA-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: PT01194, Histamine H3 receptor
Protein ID: PT01173, Histamine H3 receptor