General Information of the Compound
| Compound ID |
CP0444467
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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-naphthalen-2-ylpropanoyl]amino]-6-aminohexanamide
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| Formula |
C47H50N6O5
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| Molecular Weight |
778.954
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C47H50N6O5/c1-30(54)50-41(27-31-17-20-34-10-2-5-13-37(34)24-31)45(56)52-43(29-33-19-22-36-12-4-7-15-39(36)26-33)47(58)53-42(46(57)51-40(44(49)55)16-8-9-23-48)28-32-18-21-35-11-3-6-14-38(35)25-32/h2-7,10-15,17-22,24-26,40-43H,8-9,16,23,27-29,48H2,1H3,(H2,49,55)(H,50,54)(H,51,57)(H,52,56)(H,53,58)/t40-,41-,42-,43-/m1/s1
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| InChIKey |
NHNGIHXOKMSFOD-MRWFHJSOSA-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