General Information of the Compound
| Compound ID |
CP0405058
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| Compound Name |
(2S)-1-[3-(1-methylbenzimidazol-2-yl)propanoyl]-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
Cn1c(CCC(=O)N2CCC[C@H]2C(=O)Nc2ccccc2-n2cccc2)nc2ccccc12
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| InChI |
InChI=1S/C26H27N5O2/c1-29-21-11-4-2-9-19(21)27-24(29)14-15-25(32)31-18-8-13-23(31)26(33)28-20-10-3-5-12-22(20)30-16-6-7-17-30/h2-7,9-12,16-17,23H,8,13-15,18H2,1H3,(H,28,33)/t23-/m0/s1
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| InChIKey |
CMTZAULQVPVIBB-QHCPKHFHSA-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