General Information of the Compound
| Compound ID |
CP0403347
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| Compound Name |
N-(cyclohexylmethyl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-N-methylpropanamide
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| Structure |
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| Formula |
C32H44N4O2
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| Molecular Weight |
516.73
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N(C)CC1CCCCC1
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| InChI |
InChI=1S/C32H44N4O2/c1-21(2)25-15-11-16-26(22(3)4)30(25)35-32(38)34-29(18-24-19-33-28-17-10-9-14-27(24)28)31(37)36(5)20-23-12-7-6-8-13-23/h9-11,14-17,19,21-23,29,33H,6-8,12-13,18,20H2,1-5H3,(H2,34,35,38)
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| InChIKey |
KWCBBPPGJDRADF-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