General Information of the Compound
| Compound ID |
CP0471331
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| Compound Name |
(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-6-aminohexanamide
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| Formula |
C43H47IN6O5
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| Molecular Weight |
854.79
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C43H47IN6O5/c1-27(51)47-37(25-29-13-17-31-8-2-4-10-33(31)22-29)41(53)50-39(26-30-14-18-32-9-3-5-11-34(32)23-30)43(55)49-38(24-28-15-19-35(44)20-16-28)42(54)48-36(40(46)52)12-6-7-21-45/h2-5,8-11,13-20,22-23,36-39H,6-7,12,21,24-26,45H2,1H3,(H2,46,52)(H,47,51)(H,48,54)(H,49,55)(H,50,53)/t36-,37-,38-,39-/m1/s1
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| InChIKey |
AIQRGPUFSZXKMB-WRCAVZGJSA-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