General Information of the Compound
| Compound ID |
CP0551488
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| Compound Name |
(2S)-2-[[2-amino-2-(1-carbamimidoylpiperidin-4-yl)acetyl]amino]-3-phenylpropanamide
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| Structure |
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| Formula |
C17H26N6O2
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| Molecular Weight |
346.435
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| Canonical SMILES |
NC(C1CCN(CC1)C(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C17H26N6O2/c18-14(12-6-8-23(9-7-12)17(20)21)16(25)22-13(15(19)24)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,18H2,(H2,19,24)(H3,20,21)(H,22,25)/t13-,14?/m0/s1
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| InChIKey |
ZQRUPFZEQPUPTB-LSLKUGRBSA-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: PT05986, Mas-related G-protein coupled receptor member X1
Protein ID: PT04369, Mas-related G-protein coupled receptor member X1