General Information of the Compound
| Compound ID |
CP0074339
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| Compound Name |
Orexin receptor antagonist 2
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| Structure |
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| Formula |
C23H21N5O2
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| Molecular Weight |
399.454
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1ncccn1)Oc1cc(ccn1)C#N
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| InChI |
InChI=1S/C23H21N5O2/c1-16-7-8-18(30-21-13-17(14-24)9-12-25-21)15-28(16)23(29)20-6-3-2-5-19(20)22-26-10-4-11-27-22/h2-6,9-13,16,18H,7-8,15H2,1H3/t16-,18-/m1/s1
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| InChIKey |
MMRBNOXAAQLWLU-SJLPKXTDSA-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