General Information of the Compound
| Compound ID |
CP0471330
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| Compound Name |
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-iodophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-aminohexanamide
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| Formula |
C36H48IN9O5
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| Molecular Weight |
813.742
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)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/C36H48IN9O5/c1-22(47)43-30(20-23-12-15-27(37)16-13-23)34(50)45-29(10-6-18-42-36(40)41)33(49)46-31(35(51)44-28(32(39)48)9-4-5-17-38)21-24-11-14-25-7-2-3-8-26(25)19-24/h2-3,7-8,11-16,19,28-31H,4-6,9-10,17-18,20-21,38H2,1H3,(H2,39,48)(H,43,47)(H,44,51)(H,45,50)(H,46,49)(H4,40,41,42)/t28-,29+,30-,31+/m1/s1
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| InChIKey |
GQIQWHJELWBNLI-ITGKQZKFSA-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