General Information of the Compound
| Compound ID |
CP0446850
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| Compound Name |
(2R)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-iodophenyl)propanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C28H44IN11O5
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| Molecular Weight |
741.636
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@@H]1C(N)=O
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| InChI |
InChI=1S/C28H44IN11O5/c1-16(41)37-19(5-2-12-35-27(31)32)24(43)38-20(6-3-13-36-28(33)34)25(44)39-21(15-17-8-10-18(29)11-9-17)26(45)40-14-4-7-22(40)23(30)42/h8-11,19-22H,2-7,12-15H2,1H3,(H2,30,42)(H,37,41)(H,38,43)(H,39,44)(H4,31,32,35)(H4,33,34,36)/t19-,20-,21+,22+/m0/s1
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| InChIKey |
YVZZDYHFCURRPG-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor