General Information of the Compound
| Compound ID |
CP0446843
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]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 |
C27H40ClN9O6
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| Molecular Weight |
622.127
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)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/C27H40ClN9O6/c1-15(38)34-18(4-2-12-33-27(31)32)24(41)35-19(10-11-22(29)39)25(42)36-20(14-16-6-8-17(28)9-7-16)26(43)37-13-3-5-21(37)23(30)40/h6-9,18-21H,2-5,10-14H2,1H3,(H2,29,39)(H2,30,40)(H,34,38)(H,35,41)(H,36,42)(H4,31,32,33)/t18-,19-,20+,21+/m0/s1
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| InChIKey |
AQFSRNQRSXLKSH-UWHLTILDSA-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