General Information of the Compound
| Compound ID |
CP0412764
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| Compound Name |
(2S)-2-acetamido-N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C32H46IN11O5
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| Molecular Weight |
791.696
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C32H46IN11O5/c1-19(45)41-23(9-5-15-39-31(35)36)28(47)42-24(10-6-16-40-32(37)38)29(48)44-26(18-21-11-13-22(33)14-12-21)30(49)43-25(27(34)46)17-20-7-3-2-4-8-20/h2-4,7-8,11-14,23-26H,5-6,9-10,15-18H2,1H3,(H2,34,46)(H,41,45)(H,42,47)(H,43,49)(H,44,48)(H4,35,36,39)(H4,37,38,40)/t23-,24-,25-,26+/m0/s1
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| InChIKey |
NVDGFOWDLBIVFD-ASDGIDEWSA-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