General Information of the Compound
| Compound ID |
CP0435650
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-N-(2-amino-2-oxoethyl)-5-(diaminomethylideneamino)pentanamide
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| Structure |
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| Formula |
C25H36N10O5
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| Molecular Weight |
556.628
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C25H36N10O5/c1-15(36)33-20(11-17-12-29-14-32-17)24(40)35-19(10-16-6-3-2-4-7-16)23(39)34-18(8-5-9-30-25(27)28)22(38)31-13-21(26)37/h2-4,6-7,12,14,18-20H,5,8-11,13H2,1H3,(H2,26,37)(H,29,32)(H,31,38)(H,33,36)(H,34,39)(H,35,40)(H4,27,28,30)/t18-,19+,20-/m0/s1
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| InChIKey |
SFOKAYXCDPHYOQ-ZCNNSNEGSA-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