General Information of the Compound
| Compound ID |
CP0436022
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| Compound Name |
2-[(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoylamino]-3-(S)-phenyl-propionic acid
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| Structure |
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| Formula |
C16H24N4O3S
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| Molecular Weight |
352.46
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| Canonical SMILES |
CSC(=N)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C16H24N4O3S/c1-24-16(18)19-9-5-8-12(17)14(21)20-13(15(22)23)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,17H2,1H3,(H2,18,19)(H,20,21)(H,22,23)/t12-,13-/m0/s1
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| InChIKey |
CKTQQHSTESGUST-STQMWFEESA-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: PT01406, Nitric oxide synthase 1
Protein ID: PT01472, Nitric oxide synthase, inducible