General Information of the Compound
| Compound ID |
CP0421025
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-methylbutanoyl]amino]-N-[(2R)-1-[(2R)-2-carbamoylpyrrolidin-1-yl]-3-(4-chlorophenyl)-1-oxopropan-2-yl]pentanediamide
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| Structure |
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| Formula |
C26H37ClN6O6
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| Molecular Weight |
565.071
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| Canonical SMILES |
CC(C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O
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| InChI |
InChI=1S/C26H37ClN6O6/c1-14(2)22(30-15(3)34)25(38)31-18(10-11-21(28)35)24(37)32-19(13-16-6-8-17(27)9-7-16)26(39)33-12-4-5-20(33)23(29)36/h6-9,14,18-20,22H,4-5,10-13H2,1-3H3,(H2,28,35)(H2,29,36)(H,30,34)(H,31,38)(H,32,37)/t18-,19+,20+,22-/m0/s1
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| InChIKey |
GGFOCYQTASWLPV-HIUFNZKISA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor