General Information of the Compound
| Compound ID |
CP0479138
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| Compound Name |
(R)-4-(benzyloxy)-1-(1-(2-(2-(hydroxymethyl)pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C26H28N4O3
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| Molecular Weight |
444.535
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| Canonical SMILES |
OC[C@H]1CCCN1CCn1ncc2cc(ccc12)-n1ccc(OCc2ccccc2)cc1=O
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| InChI |
InChI=1S/C26H28N4O3/c31-18-23-7-4-11-28(23)13-14-30-25-9-8-22(15-21(25)17-27-30)29-12-10-24(16-26(29)32)33-19-20-5-2-1-3-6-20/h1-3,5-6,8-10,12,15-17,23,31H,4,7,11,13-14,18-19H2/t23-/m1/s1
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| InChIKey |
GQTWGOYRIPIZBV-HSZRJFAPSA-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