General Information of the Compound
| Compound ID |
CP0481519
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| Compound Name |
N-[(2R)-3-(4-fluorophenyl)-1-[(2S)-4-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-3-oxo-2-propylpiperazin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C35H43FN4O4
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| Molecular Weight |
602.751
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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)C(C)(C)C
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| InChI |
InChI=1S/C35H43FN4O4/c1-6-9-29-33(43)40(30(31(41)37-5)22-24-12-15-25-10-7-8-11-26(25)20-24)19-18-39(29)32(42)28(38-34(44)35(2,3)4)21-23-13-16-27(36)17-14-23/h7-8,10-17,20,28-30H,6,9,18-19,21-22H2,1-5H3,(H,37,41)(H,38,44)/t28-,29+,30+/m1/s1
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| InChIKey |
SCWYPKQWJXXMFD-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