General Information of the Compound
| Compound ID |
CP0388185
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| Compound Name |
1-Amino-N-((1R)-1-[(4-fluorophenyl)methyl]-2-{(2S)-4-[(1S)-2-(methylamino)-1-(2-naphthalenylmethyl)-2-oxoethyl]-3-oxo-2-propyl-1-piperazinyl}-2-oxoethyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C34H40FN5O4
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| Molecular Weight |
601.723
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| Canonical SMILES |
CCC[C@@H]1N(CCN([C@@H](Cc2ccc3ccccc3c2)C(=O)NC)C1=O)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C1(N)CC1
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| InChI |
InChI=1S/C34H40FN5O4/c1-3-6-28-32(43)40(29(30(41)37-2)21-23-9-12-24-7-4-5-8-25(24)19-23)18-17-39(28)31(42)27(38-33(44)34(36)15-16-34)20-22-10-13-26(35)14-11-22/h4-5,7-14,19,27-29H,3,6,15-18,20-21,36H2,1-2H3,(H,37,41)(H,38,44)/t27-,28+,29+/m1/s1
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| InChIKey |
GEDCOLLODBJRNS-ULNSLHSMSA-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: PT00911, Melanocyte-stimulating hormone receptor