General Information of the Compound
| Compound ID |
CP0382429
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| Compound Name |
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-(pyridin-4-ylmethyl)quinolin-2(1H)-one
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| Structure |
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| Formula |
C28H27ClN4O3
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| Molecular Weight |
503.002
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| Canonical SMILES |
Clc1ccc2n(Cc3ccncc3)c(=O)cc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C28H27ClN4O3/c29-21-2-3-25-23(14-21)24(15-28(34)33(25)17-19-5-9-30-10-6-19)31-22-7-11-32(12-8-22)16-20-1-4-26-27(13-20)36-18-35-26/h1-6,9-10,13-15,22,31H,7-8,11-12,16-18H2
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| InChIKey |
RMXXLBXAQDDMHW-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