General Information of the Compound
| Compound ID |
CP0404060
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| Compound Name |
2-(1H-indol-3-ylmethyl)-9-(4-methoxypyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C23H27N5O2
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| Molecular Weight |
405.502
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| Canonical SMILES |
COc1ccnc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
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| InChI |
InChI=1S/C23H27N5O2/c1-30-20-7-11-24-22(26-20)27-13-9-23(10-14-27)8-4-12-28(21(23)29)16-17-15-25-19-6-3-2-5-18(17)19/h2-3,5-7,11,15,25H,4,8-10,12-14,16H2,1H3
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| InChIKey |
PCMHOSYCWRRHTG-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: PT05830, Orexin receptor type 2
Protein ID: PT05456, Orexin/Hypocretin receptor type 1
Protein ID: PT02001, Orexin/Hypocretin receptor type 1