General Information of the Compound
| Compound ID |
CP0371977
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| Compound Name |
1-Amino-N-((R)-3-(4-fluorophenyl)-1-((S)-4-((S)-1-(methylamino)-3-(naphthalen-2-yl)-1-oxopropan-2-yl)-2-propylpiperazin-1-yl)-1-oxopropan-2-yl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C35H42FN5O4
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| Molecular Weight |
615.75
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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)CCC1
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| InChI |
InChI=1S/C35H42FN5O4/c1-3-7-29-33(44)41(30(31(42)38-2)22-24-10-13-25-8-4-5-9-26(25)20-24)19-18-40(29)32(43)28(21-23-11-14-27(36)15-12-23)39-34(45)35(37)16-6-17-35/h4-5,8-15,20,28-30H,3,6-7,16-19,21-22,37H2,1-2H3,(H,38,42)(H,39,45)/t28-,29+,30+/m1/s1
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| InChIKey |
DUSMRMPLECSLRG-NGDRWEMDSA-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