General Information of the Compound
| Compound ID |
CP0523659
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| Compound Name |
2-(1H-indol-3-ylmethyl)-9-pyrazin-2-yl-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C22H25N5O
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| Molecular Weight |
375.476
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| Canonical SMILES |
O=C1N(Cc2c[nH]c3ccccc23)CCCC11CCN(CC1)c1cnccn1
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| InChI |
InChI=1S/C22H25N5O/c28-21-22(7-12-26(13-8-22)20-15-23-9-10-24-20)6-3-11-27(21)16-17-14-25-19-5-2-1-4-18(17)19/h1-2,4-5,9-10,14-15,25H,3,6-8,11-13,16H2
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| InChIKey |
CCGWDYLPWSYNLM-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