General Information of the Compound
| Compound ID |
CP0423661
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| Compound Name |
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Formula |
C40H51N11O5
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| Molecular Weight |
765.92
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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](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C40H51N11O5/c1-24(52)48-33(22-25-14-16-27-8-2-4-10-29(27)20-25)37(55)50-32(13-7-19-47-40(44)45)36(54)51-34(23-26-15-17-28-9-3-5-11-30(28)21-26)38(56)49-31(35(41)53)12-6-18-46-39(42)43/h2-5,8-11,14-17,20-21,31-34H,6-7,12-13,18-19,22-23H2,1H3,(H2,41,53)(H,48,52)(H,49,56)(H,50,55)(H,51,54)(H4,42,43,46)(H4,44,45,47)/t31-,32-,33+,34-/m0/s1
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| InChIKey |
NPTYEQVKIVHBRN-HVRNLMOBSA-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: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor