General Information of the Compound
| Compound ID |
CP0408994
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| Compound Name |
2-(1H-indol-3-ylmethyl)-9-pyrimidin-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)c1ncccn1
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| InChI |
InChI=1S/C22H25N5O/c28-20-22(8-13-26(14-9-22)21-23-10-4-11-24-21)7-3-12-27(20)16-17-15-25-19-6-2-1-5-18(17)19/h1-2,4-6,10-11,15,25H,3,7-9,12-14,16H2
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| InChIKey |
WNAFZMXHGYEVGT-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