General Information of the Compound
| Compound ID |
CP0086965
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| Compound Name |
Orexin receptor antagonist 3
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| Structure |
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| Formula |
C22H21N5O3
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| Molecular Weight |
403.442
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| Canonical SMILES |
C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-c1noc(C)n1)Oc1cc(ccn1)C#N
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| InChI |
InChI=1S/C22H21N5O3/c1-14-7-8-17(29-20-11-16(12-23)9-10-24-20)13-27(14)22(28)19-6-4-3-5-18(19)21-25-15(2)30-26-21/h3-6,9-11,14,17H,7-8,13H2,1-2H3/t14-,17-/m1/s1
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| InChIKey |
DZHWCPHUSBPNJT-RHSMWYFYSA-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