General Information of the Compound
| Compound ID |
CP0464451
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| Compound Name |
N-[(1R,2R)-2-aminocyclohexyl]-4-(1H-indol-3-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
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| Structure |
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| Formula |
C27H33N3O
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| Molecular Weight |
415.581
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| Canonical SMILES |
N[C@@H]1CCCC[C@H]1N(C\C=C\c1ccccc1)C(=O)CCCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C27H33N3O/c28-24-15-5-7-17-26(24)30(19-9-12-21-10-2-1-3-11-21)27(31)18-8-13-22-20-29-25-16-6-4-14-23(22)25/h1-4,6,9-12,14,16,20,24,26,29H,5,7-8,13,15,17-19,28H2/b12-9+/t24-,26-/m1/s1
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| InChIKey |
CTWATJKCCUTZQI-OAOUBSARSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT01440, Melanocyte-stimulating hormone receptor