General Information of the Compound
| Compound ID |
CP0522520
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| Compound Name |
N-[[(2S)-5-amino-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
Cc1nc(C(=O)N2CC(N)CC[C@H]2CNC(=O)c2cccc3cccnc23)c(s1)-c1ccccc1
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| InChI |
InChI=1S/C27H27N5O2S/c1-17-31-24(25(35-17)19-7-3-2-4-8-19)27(34)32-16-20(28)12-13-21(32)15-30-26(33)22-11-5-9-18-10-6-14-29-23(18)22/h2-11,14,20-21H,12-13,15-16,28H2,1H3,(H,30,33)/t20?,21-/m0/s1
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| InChIKey |
CMEYWYAGTUKFKO-LBAQZLPGSA-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