General Information of the Compound
| Compound ID |
CP0389090
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| Compound Name |
(2S)-1-acetyl-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-fluorophenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C33H41FN6O5
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| Molecular Weight |
620.726
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C33H41FN6O5/c1-3-4-9-26(31(43)38-27(30(35)42)18-22-19-36-25-10-6-5-8-24(22)25)37-32(44)28(17-21-12-14-23(34)15-13-21)39-33(45)29-11-7-16-40(29)20(2)41/h5-6,8,10,12-15,19,26-29,36H,3-4,7,9,11,16-18H2,1-2H3,(H2,35,42)(H,37,44)(H,38,43)(H,39,45)/t26-,27-,28+,29-/m0/s1
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| InChIKey |
PGHLIJXAFOBIIC-FKWFRFQNSA-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: PT00911, Melanocyte-stimulating hormone receptor