General Information of the Compound
| Compound ID |
CP0153439
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| Compound Name |
(S)-2-Amino-5-(2-methyl-isothioureido)-pentanoic acid
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| Structure |
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| Formula |
C7H15N3O2S
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| Molecular Weight |
205.283
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| Canonical SMILES |
CSC(N)=NCCC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)/t5-/m0/s1
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| InChIKey |
NGVMVBQRKZPFLB-YFKPBYRVSA-N
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| CAS |
156719-41-4
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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: PT01856, Nitric oxide synthase 3
Protein ID: PT01472, Nitric oxide synthase, inducible