General Information of the Compound
| Compound ID |
CP0423652
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-acetamido-3-(4-iodophenyl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Formula |
C43H47IN8O5
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| Molecular Weight |
882.804
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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](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C43H47IN8O5/c1-26(53)49-36(23-27-14-18-34(44)19-15-27)40(55)51-38(25-29-13-17-31-8-3-5-10-33(31)22-29)42(57)52-37(24-28-12-16-30-7-2-4-9-32(30)21-28)41(56)50-35(39(45)54)11-6-20-48-43(46)47/h2-5,7-10,12-19,21-22,35-38H,6,11,20,23-25H2,1H3,(H2,45,54)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,46,47,48)/t35-,36+,37-,38+/m0/s1
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| InChIKey |
LKSQYDJAPDOHRU-WCTYMAGYSA-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