General Information of the Compound
| Compound ID |
CP0950971
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| Compound Name |
(S)-(2-(benzo[d][1,3]dioxol-5-ylmethyl)pyrrolidin-1-yl)(2-methyl-5-(mtolyl)thiazol-4-yl)methanone
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| Structure |
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| Formula |
C24H24N2O3S
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| Molecular Weight |
420.534
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| Canonical SMILES |
Cc1cccc(-c2sc(C)nc2C(=O)N2CCC[C@H]2Cc2ccc3c(c2)OCO3)c1
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| InChI |
InChI=1S/C24H24N2O3S/c1-15-5-3-6-18(11-15)23-22(25-16(2)30-23)24(27)26-10-4-7-19(26)12-17-8-9-20-21(13-17)29-14-28-20/h3,5-6,8-9,11,13,19H,4,7,10,12,14H2,1-2H3/t19-/m0/s1
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| InChIKey |
WSFODJHZTULNHW-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