General Information of the Compound
| Compound ID |
CP0408993
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| Compound Name |
9-(4,6-dimethylpyrimidin-2-yl)-2-(1H-indol-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
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| Structure |
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| Formula |
C24H29N5O
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| Molecular Weight |
403.53
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1CCC2(CCCN(Cc3c[nH]c4ccccc34)C2=O)CC1
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| InChI |
InChI=1S/C24H29N5O/c1-17-14-18(2)27-23(26-17)28-12-9-24(10-13-28)8-5-11-29(22(24)30)16-19-15-25-21-7-4-3-6-20(19)21/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3
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| InChIKey |
LPXWVADJMUAREE-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