General Information of the Compound
| Compound ID |
CP0478441
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| Compound Name |
N-cyclopentyl-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
Cc1ccc(cc1)C(=O)Nc1c([nH]c2ccc(C)cc12)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C23H25N3O2/c1-14-7-10-16(11-8-14)22(27)26-20-18-13-15(2)9-12-19(18)25-21(20)23(28)24-17-5-3-4-6-17/h7-13,17,25H,3-6H2,1-2H3,(H,24,28)(H,26,27)
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| InChIKey |
OGRSNEFWEINPMM-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a