General Information of the Compound
| Compound ID |
CP0373762
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| Compound Name |
3-Dimethylaminomethyl-2-phenyl-quinoline-4-carboxylic acid ((R)-1-phenyl-propyl)-amide
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| Structure |
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| Formula |
C28H29N3O
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| Molecular Weight |
423.56
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| Canonical SMILES |
CC[C@@H](NC(=O)c1c(CN(C)C)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H29N3O/c1-4-24(20-13-7-5-8-14-20)30-28(32)26-22-17-11-12-18-25(22)29-27(23(26)19-31(2)3)21-15-9-6-10-16-21/h5-18,24H,4,19H2,1-3H3,(H,30,32)/t24-/m1/s1
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| InChIKey |
SRCSBMBYPRHSJZ-XMMPIXPASA-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: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor