General Information of the Compound
| Compound ID |
CP0471324
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-iodophenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Formula |
C39H44I2N8O5
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| Molecular Weight |
958.64
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C39H44I2N8O5/c1-23(50)46-32(20-24-9-14-29(40)15-10-24)36(52)49-34(22-26-8-13-27-5-2-3-6-28(27)19-26)38(54)48-33(21-25-11-16-30(41)17-12-25)37(53)47-31(35(42)51)7-4-18-45-39(43)44/h2-3,5-6,8-17,19,31-34H,4,7,18,20-22H2,1H3,(H2,42,51)(H,46,50)(H,47,53)(H,48,54)(H,49,52)(H4,43,44,45)/t31-,32+,33+,34+/m0/s1
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| InChIKey |
ZAXQEAJPJNIAPN-KRFMAMIKSA-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