General Information of the Compound
| Compound ID |
CP0383981
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| Compound Name |
2-[3-(1-benzyl-2,5-dioxo-3,4-dihydro-1,4-benzodiazepin-3-yl)propyl]guanidine
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| Structure |
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| Formula |
C20H23N5O2
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| Molecular Weight |
365.437
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| Canonical SMILES |
NC(N)=NCCCC1NC(=O)c2ccccc2N(Cc2ccccc2)C1=O
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| InChI |
InChI=1S/C20H23N5O2/c21-20(22)23-12-6-10-16-19(27)25(13-14-7-2-1-3-8-14)17-11-5-4-9-15(17)18(26)24-16/h1-5,7-9,11,16H,6,10,12-13H2,(H,24,26)(H4,21,22,23)
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| InChIKey |
ISYKEWZFNMQKFW-UHFFFAOYSA-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