General Information of the Compound
| Compound ID |
CP0408988
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| Compound Name |
2-phenyl-1-(8-quinoxalin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)ethanone
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| Structure |
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| Formula |
C24H26N4O
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| Molecular Weight |
386.499
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| Canonical SMILES |
O=C(Cc1ccccc1)N1CCCC11CCN(CC1)c1cnc2ccccc2n1
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| InChI |
InChI=1S/C24H26N4O/c29-23(17-19-7-2-1-3-8-19)28-14-6-11-24(28)12-15-27(16-13-24)22-18-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,18H,6,11-17H2
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| InChIKey |
VRTJHLLEIUDQMQ-UHFFFAOYSA-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