General Information of the Compound
| Compound ID |
CP0499754
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| Compound Name |
5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
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| Structure |
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| Formula |
C21H29N3O2
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| Molecular Weight |
355.482
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| Canonical SMILES |
CC(C)n1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1
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| InChI |
InChI=1S/C21H29N3O2/c1-16(2)24-21(25)14-19(15-22-24)18-7-9-20(10-8-18)26-13-5-12-23-11-4-6-17(23)3/h7-10,14-17H,4-6,11-13H2,1-3H3/t17-/m1/s1
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| InChIKey |
SRWDXYXZNVIWLX-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: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT04865, 5-hydroxytryptamine receptor 3A