General Information of the Compound
| Compound ID |
CP0946756
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| Compound Name |
(S)-(2-(3,4-dimethoxybenzyl)pyrrolidin-1-yl)(5-methyl-2-(1H-pyrazol-1-yl)phenyl)methanone
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| Structure |
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| Formula |
C24H27N3O3
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| Molecular Weight |
405.498
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| Canonical SMILES |
COc1ccc(C[C@@H]2CCCN2C(=O)c2cc(C)ccc2-n2cccn2)cc1OC
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| InChI |
InChI=1S/C24H27N3O3/c1-17-7-9-21(27-13-5-11-25-27)20(14-17)24(28)26-12-4-6-19(26)15-18-8-10-22(29-2)23(16-18)30-3/h5,7-11,13-14,16,19H,4,6,12,15H2,1-3H3/t19-/m0/s1
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| InChIKey |
UFKMMEFGMJOTTI-IBGZPJMESA-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: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1