General Information of the Compound
| Compound ID |
CP0396256
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-(4-phenylphenyl)propan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C41H47IN8O5
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| Molecular Weight |
858.782
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C41H47IN8O5/c1-26(51)47-35(24-27-9-4-2-5-10-27)39(54)48-33(13-8-22-46-41(44)45)38(53)50-36(25-29-16-20-32(42)21-17-29)40(55)49-34(37(43)52)23-28-14-18-31(19-15-28)30-11-6-3-7-12-30/h2-7,9-12,14-21,33-36H,8,13,22-25H2,1H3,(H2,43,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)(H4,44,45,46)/t33-,34-,35-,36+/m0/s1
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| InChIKey |
ZYEHBONEFWSELV-SKXFTCKDSA-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