General Information of the Compound
| Compound ID |
CP0504614
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| Compound Name |
4-(benzyloxy)-1-(1-(((4R)-4-hydroxypyrrolidin-2-yl)methyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
O[C@H]1CNC(Cn2ncc3cc(ccc23)-n2ccc(OCc3ccccc3)cc2=O)C1
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| InChI |
InChI=1S/C24H24N4O3/c29-21-11-19(25-14-21)15-28-23-7-6-20(10-18(23)13-26-28)27-9-8-22(12-24(27)30)31-16-17-4-2-1-3-5-17/h1-10,12-13,19,21,25,29H,11,14-16H2/t19?,21-/m1/s1
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| InChIKey |
KGGDACGUSPXIPF-VGAJERRHSA-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2