General Information of the Compound
| Compound ID |
CP0460643
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| Compound Name |
4-(cyclohexylmethyl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
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| Structure |
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| Formula |
C21H29N3O
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| Molecular Weight |
339.483
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| Canonical SMILES |
CN1CCC[C@@H]1Cn1nc(CC2CCCCC2)c2ccccc2c1=O
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| InChI |
InChI=1S/C21H29N3O/c1-23-13-7-10-17(23)15-24-21(25)19-12-6-5-11-18(19)20(22-24)14-16-8-3-2-4-9-16/h5-6,11-12,16-17H,2-4,7-10,13-15H2,1H3/t17-/m1/s1
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| InChIKey |
IGZMIXBCHNOMPG-QGZVFWFLSA-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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor