General Information of the Compound
| Compound ID |
CP0421027
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| Compound Name |
(2R)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H39ClN10O5
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| Molecular Weight |
631.138
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]1C(N)=O
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| InChI |
InChI=1S/C28H39ClN10O5/c1-16(40)36-21(13-19-14-33-15-35-19)26(43)37-20(4-2-10-34-28(31)32)25(42)38-22(12-17-6-8-18(29)9-7-17)27(44)39-11-3-5-23(39)24(30)41/h6-9,14-15,20-23H,2-5,10-13H2,1H3,(H2,30,41)(H,33,35)(H,36,40)(H,37,43)(H,38,42)(H4,31,32,34)/t20-,21-,22+,23+/m0/s1
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| InChIKey |
MNALDVQJQLZXDP-MYDTUXCISA-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