General Information of the Compound
| Compound ID |
CP0379134
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| Compound Name |
(2S)-2-[[2-amino-2-[3-(diaminomethylideneamino)phenyl]acetyl]amino]-3-phenylpropanamide
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| Structure |
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| Formula |
C18H22N6O2
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| Molecular Weight |
354.414
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| Canonical SMILES |
NC(C(=O)N[C@@H](Cc1ccccc1)C(N)=O)c1cccc(NC(N)=N)c1
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| InChI |
InChI=1S/C18H22N6O2/c19-15(12-7-4-8-13(10-12)23-18(21)22)17(26)24-14(16(20)25)9-11-5-2-1-3-6-11/h1-8,10,14-15H,9,19H2,(H2,20,25)(H,24,26)(H4,21,22,23)/t14-,15?/m0/s1
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| InChIKey |
YKCDVZGMEHGJGV-MLCCFXAWSA-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: PT05083, Mas-related G-protein coupled receptor member X1
Protein ID: PT04369, Mas-related G-protein coupled receptor member X1
Protein ID: PT05986, Mas-related G-protein coupled receptor member X1