General Information of the Compound
| Compound ID |
CP0452288
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| Compound Name |
(4S)-4-(4-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
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| Structure |
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| Formula |
C10H11ClN2O
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| Molecular Weight |
210.664
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| Canonical SMILES |
Cc1cc(Cl)ccc1[C@H]1COC(N)=N1
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| InChI |
InChI=1S/C10H11ClN2O/c1-6-4-7(11)2-3-8(6)9-5-14-10(12)13-9/h2-4,9H,5H2,1H3,(H2,12,13)/t9-/m1/s1
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| InChIKey |
VICOLHFTEAKJRI-SECBINFHSA-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT04763, Trace amine-associated receptor 1