General Information of the Compound
| Compound ID |
CP0522985
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| Compound Name |
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloroquinolin-2(1H)-one
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| Structure |
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| Formula |
C22H22ClN3O3
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| Molecular Weight |
411.889
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| Canonical SMILES |
Clc1ccc2[nH]c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C22H22ClN3O3/c23-15-2-3-18-17(10-15)19(11-22(27)25-18)24-16-5-7-26(8-6-16)12-14-1-4-20-21(9-14)29-13-28-20/h1-4,9-11,16H,5-8,12-13H2,(H2,24,25,27)
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| InChIKey |
SNBBROUTMGTRAU-UHFFFAOYSA-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