General Information of the Compound
| Compound ID |
CP0471327
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| Compound Name |
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-aminohexanamide
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| Formula |
C40H51N9O5
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| Molecular Weight |
737.906
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C40H51N9O5/c1-25(50)46-34(23-26-15-17-28-9-2-4-11-30(28)21-26)38(53)48-33(14-8-20-45-40(43)44)37(52)49-35(39(54)47-32(36(42)51)13-6-7-19-41)24-27-16-18-29-10-3-5-12-31(29)22-27/h2-5,9-12,15-18,21-22,32-35H,6-8,13-14,19-20,23-24,41H2,1H3,(H2,42,51)(H,46,50)(H,47,54)(H,48,53)(H,49,52)(H4,43,44,45)/t32-,33+,34-,35+/m1/s1
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| InChIKey |
YZRKLLYZJJPVLG-AXXKPAGNSA-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
Protein ID: PT01440, Melanocyte-stimulating hormone receptor