General Information of the Compound
| Compound ID |
CP0519165
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| Compound Name |
(2S)-2-acetamido-N-[(2R)-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pentanediamide
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| Structure |
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| Formula |
C33H44N10O6
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| Molecular Weight |
676.779
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| Canonical SMILES |
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C33H44N10O6/c1-19(44)40-25(13-14-28(34)45)31(48)43-27(16-20-8-3-2-4-9-20)32(49)41-24(12-7-15-38-33(36)37)30(47)42-26(29(35)46)17-21-18-39-23-11-6-5-10-22(21)23/h2-6,8-11,18,24-27,39H,7,12-17H2,1H3,(H2,34,45)(H2,35,46)(H,40,44)(H,41,49)(H,42,47)(H,43,48)(H4,36,37,38)/t24-,25-,26-,27+/m0/s1
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| InChIKey |
AFHUURALZPGBOL-YIPNQBBMSA-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