General Information of the Compound
| Compound ID |
CP0397937
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| Compound Name |
(4S)-4-[(3-chloro-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C12H16ClN3O
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| Molecular Weight |
253.733
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| Canonical SMILES |
CCN(C[C@H]1COC(N)=N1)c1cccc(Cl)c1
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| InChI |
InChI=1S/C12H16ClN3O/c1-2-16(7-10-8-17-12(14)15-10)11-5-3-4-9(13)6-11/h3-6,10H,2,7-8H2,1H3,(H2,14,15)/t10-/m0/s1
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| InChIKey |
JPHIUUMQXXMGSU-JTQLQIEISA-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