General Information of the Compound
| Compound ID |
CP0870530
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| Compound Name |
(R)-2-((S)-2-((R)-2-((R)-2-acetamido-3-(naphthalen-2-yl)propanamido)-3-(naphthalen-2-yl)propanamido)-3-(1H-indol-3-yl)propanamido)-6-aminohexanamide
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| Formula |
C45H49N7O5
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| Molecular Weight |
767.931
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C45H49N7O5/c1-28(53)49-39(24-29-17-19-31-10-2-4-12-33(31)22-29)43(55)51-40(25-30-18-20-32-11-3-5-13-34(32)23-30)44(56)52-41(26-35-27-48-37-15-7-6-14-36(35)37)45(57)50-38(42(47)54)16-8-9-21-46/h2-7,10-15,17-20,22-23,27,38-41,48H,8-9,16,21,24-26,46H2,1H3,(H2,47,54)(H,49,53)(H,50,57)(H,51,55)(H,52,56)/t38-,39-,40-,41+/m1/s1
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| InChIKey |
VFHJSFDHAZMQQA-NAGBALJGSA-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