General Information of the Compound
| Compound ID |
CP0405291
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| Compound Name |
(2S)-2-[[2,6-di(propan-2-yl)phenyl]carbamoylamino]-3-(1H-indol-3-yl)-2-methyl-N-(2-phenylcyclohexyl)propanamide
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| Structure |
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| Formula |
C37H46N4O2
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| Molecular Weight |
578.801
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)NC1CCCCC1c1ccccc1
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| InChI |
InChI=1S/C37H46N4O2/c1-24(2)28-18-13-19-29(25(3)4)34(28)40-36(43)41-37(5,22-27-23-38-32-20-11-9-17-31(27)32)35(42)39-33-21-12-10-16-30(33)26-14-7-6-8-15-26/h6-9,11,13-15,17-20,23-25,30,33,38H,10,12,16,21-22H2,1-5H3,(H,39,42)(H2,40,41,43)/t30?,33?,37-/m0/s1
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| InChIKey |
FPXQVXWPGHSEEF-VHPZEBDXSA-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