General Information of the Compound
| Compound ID |
CP0394376
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| Compound Name |
(S)-1-(4-(2-(1-amino-3-methylbutyl)-6-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
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| Structure |
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| Formula |
C24H30Cl2FN3O
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| Molecular Weight |
466.428
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| Canonical SMILES |
CC(C)C[C@H](N)c1cccc(F)c1N1CCN(CC1)C(=O)CCc1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H30Cl2FN3O/c1-16(2)14-22(28)19-4-3-5-21(27)24(19)30-12-10-29(11-13-30)23(31)9-7-17-6-8-18(25)15-20(17)26/h3-6,8,15-16,22H,7,9-14,28H2,1-2H3/t22-/m0/s1
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| InChIKey |
VIFYVTWZHBRVAT-QFIPXVFZSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5