General Information of the Compound
| Compound ID |
CP0100763
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| Compound Name |
4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]phthalazin-1-one
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| Structure |
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| Formula |
C23H26ClN3O2
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| Molecular Weight |
411.933
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| Canonical SMILES |
COCCN1CCC[C@@H]1Cn1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H26ClN3O2/c1-29-14-13-26-12-4-5-19(26)16-27-23(28)21-7-3-2-6-20(21)22(25-27)15-17-8-10-18(24)11-9-17/h2-3,6-11,19H,4-5,12-16H2,1H3/t19-/m1/s1
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| InChIKey |
KMFDXNUGIFDFHQ-LJQANCHMSA-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