General Information of the Compound
| Compound ID |
CP0517212
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| Compound Name |
methyl 1-methyl-2-[2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazol-4-yl]cyclopropane-1-carboxylate
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| Formula |
C24H27N5O4
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| Molecular Weight |
449.511
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| Canonical SMILES |
COC(=O)C1(C)CC1c1coc(n1)[C@@H]1CC[C@@H](C)N(C1)C(=O)c1ccccc1-n1nccn1
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| InChI |
InChI=1S/C24H27N5O4/c1-15-8-9-16(21-27-19(14-33-21)18-12-24(18,2)23(31)32-3)13-28(15)22(30)17-6-4-5-7-20(17)29-25-10-11-26-29/h4-7,10-11,14-16,18H,8-9,12-13H2,1-3H3/t15-,16-,18?,24?/m1/s1
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| InChIKey |
LCFNKEOIAZLRBA-BAZDSOKHSA-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