General Information of the Compound
| Compound ID |
CP0503475
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| Compound Name |
N-(cyclohexylmethyl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)propanamide
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| Structure |
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| Formula |
C31H42N4O2
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| Molecular Weight |
502.703
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NCC1CCCCC1
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| InChI |
InChI=1S/C31H42N4O2/c1-20(2)24-14-10-15-25(21(3)4)29(24)35-31(37)34-28(30(36)33-18-22-11-6-5-7-12-22)17-23-19-32-27-16-9-8-13-26(23)27/h8-10,13-16,19-22,28,32H,5-7,11-12,17-18H2,1-4H3,(H,33,36)(H2,34,35,37)
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| InChIKey |
AYCLEFWSNCDGRW-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: PT02814, Gastrin-releasing peptide receptor
Protein ID: PT02963, Neuromedin-B receptor