General Information of the Compound
| Compound ID |
CP0536802
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| Compound Name |
(2R)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-[4-(diaminomethylideneamino)phenyl]propanamide
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| Structure |
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| Formula |
C19H24N6O2
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| Molecular Weight |
368.441
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| Canonical SMILES |
N[C@H](Cc1ccc(NC(N)=N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C19H24N6O2/c20-15(10-13-6-8-14(9-7-13)24-19(22)23)18(27)25-16(17(21)26)11-12-4-2-1-3-5-12/h1-9,15-16H,10-11,20H2,(H2,21,26)(H,25,27)(H4,22,23,24)/t15-,16+/m1/s1
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| InChIKey |
JGVSHHWPQVGYRT-CVEARBPZSA-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: PT05986, Mas-related G-protein coupled receptor member X1
Protein ID: PT05083, Mas-related G-protein coupled receptor member X1
Protein ID: PT04369, Mas-related G-protein coupled receptor member X1