General Information of the Compound
| Compound ID |
CP0376435
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| Compound Name |
(S)-2-acetamido-N1-((R)-1-((2R,4R)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)pentanediamide
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| Structure |
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| Formula |
C32H41N7O4
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| Molecular Weight |
587.725
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| Canonical SMILES |
N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[C@H]1CCCN=C(N)N)OCc1ccc2ccccc2c1
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| InChI |
InChI=1S/C32H41N7O4/c33-27(18-29(34)40)30(41)38-28(16-21-7-2-1-3-8-21)31(42)39-19-26(17-25(39)11-6-14-37-32(35)36)43-20-22-12-13-23-9-4-5-10-24(23)15-22/h1-5,7-10,12-13,15,25-28H,6,11,14,16-20,33H2,(H2,34,40)(H,38,41)(H4,35,36,37)/t25-,26-,27+,28-/m1/s1
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| InChIKey |
MNJTTYMJKZNPFK-ZZXHUEHTSA-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