General Information of the Compound
| Compound ID |
CP0396255
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| Compound Name |
(2S)-2-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-N-[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C35H43IN8O5
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| Molecular Weight |
782.684
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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](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C35H43IN8O5/c1-22(45)41-29(20-24-11-6-3-7-12-24)33(48)42-27(13-8-18-40-35(38)39)32(47)44-30(21-25-14-16-26(36)17-15-25)34(49)43-28(31(37)46)19-23-9-4-2-5-10-23/h2-7,9-12,14-17,27-30H,8,13,18-21H2,1H3,(H2,37,46)(H,41,45)(H,42,48)(H,43,49)(H,44,47)(H4,38,39,40)/t27-,28-,29-,30+/m0/s1
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| InChIKey |
WIUOEPBYUPXBFI-GCXHJFECSA-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: PT01440, Melanocyte-stimulating hormone receptor