General Information of the Compound
| Compound ID |
CP0490307
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]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 |
C27H35ClN8O6
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| Molecular Weight |
603.08
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)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/C27H35ClN8O6/c1-15(37)33-20(12-18-13-31-14-32-18)26(41)34-19(8-9-23(29)38)25(40)35-21(11-16-4-6-17(28)7-5-16)27(42)36-10-2-3-22(36)24(30)39/h4-7,13-14,19-22H,2-3,8-12H2,1H3,(H2,29,38)(H2,30,39)(H,31,32)(H,33,37)(H,34,41)(H,35,40)/t19-,20-,21+,22+/m0/s1
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| InChIKey |
GXPGOKXBYPYCNY-FNAHDJPLSA-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: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor