General Information of the Compound
| Compound ID |
CP0490714
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| Compound Name |
N-cyclopropyl-N-[2-[4-(4-methylphenyl)-4H-pyrrolo[1,2-a]quinoxalin-5-yl]-2-oxoethyl]cyclopentanecarboxamide
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| Structure |
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| Formula |
C29H31N3O2
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| Molecular Weight |
453.586
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| Canonical SMILES |
Cc1ccc(cc1)C1N(C(=O)CN(C2CC2)C(=O)C2CCCC2)c2ccccc2-n2cccc12
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| InChI |
InChI=1S/C29H31N3O2/c1-20-12-14-21(15-13-20)28-26-11-6-18-30(26)24-9-4-5-10-25(24)32(28)27(33)19-31(23-16-17-23)29(34)22-7-2-3-8-22/h4-6,9-15,18,22-23,28H,2-3,7-8,16-17,19H2,1H3
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| InChIKey |
XLVXILUFDUMZFD-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2