General Information of the Compound
| Compound ID |
CP0520596
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| Compound Name |
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-(diaminomethylideneamino)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C15H22N6O2
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| Molecular Weight |
318.381
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| Canonical SMILES |
NC(=N)N[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C15H22N6O2/c16-13(22)11(6-9-4-2-1-3-5-9)21-14(23)12-7-10(8-19-12)20-15(17)18/h1-5,10-12,19H,6-8H2,(H2,16,22)(H,21,23)(H4,17,18,20)/t10-,11-,12-/m0/s1
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| InChIKey |
YYVXAXFBIPVEPU-SRVKXCTJSA-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