General Information of the Compound
| Compound ID |
CP0379754
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| Compound Name |
(2S,4S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(diaminomethylideneamino)methyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C16H24N6O2
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| Molecular Weight |
332.408
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| Canonical SMILES |
NC(=N)NC[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C16H24N6O2/c17-14(23)12(6-10-4-2-1-3-5-10)22-15(24)13-7-11(8-20-13)9-21-16(18)19/h1-5,11-13,20H,6-9H2,(H2,17,23)(H,22,24)(H4,18,19,21)/t11-,12-,13-/m0/s1
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| InChIKey |
BFLKQEFSKSGPPF-AVGNSLFASA-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