General Information of the Compound
| Compound ID |
CP0417714
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| Compound Name |
2-(4-(2-(4-(cyclopentylmethyl)-1H-imidazol-2-yl)ethyl)phenyl)pyridine
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| Structure |
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| Formula |
C22H25N3
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| Molecular Weight |
331.463
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| Canonical SMILES |
C(Cc1ccc(cc1)-c1ccccn1)c1ncc(CC2CCCC2)[nH]1
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| InChI |
InChI=1S/C22H25N3/c1-2-6-18(5-1)15-20-16-24-22(25-20)13-10-17-8-11-19(12-9-17)21-7-3-4-14-23-21/h3-4,7-9,11-12,14,16,18H,1-2,5-6,10,13,15H2,(H,24,25)
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| InChIKey |
SARUJZSBTHIJFH-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: PT05422, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3