General Information of the Compound
| Compound ID |
CP0534021
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(4-iodophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-iodophenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanamide
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| Formula |
C32H45I2N11O5
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| Molecular Weight |
917.592
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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](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
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| InChI |
InChI=1S/C32H45I2N11O5/c1-18(46)42-25(16-19-6-10-21(33)11-7-19)29(49)44-24(5-3-15-41-32(38)39)28(48)45-26(17-20-8-12-22(34)13-9-20)30(50)43-23(27(35)47)4-2-14-40-31(36)37/h6-13,23-26H,2-5,14-17H2,1H3,(H2,35,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,36,37,40)(H4,38,39,41)/t23-,24-,25+,26+/m0/s1
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| InChIKey |
LEUXLENUTCCIOY-QEGGNFSNSA-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