General Information of the Compound
| Compound ID |
CP0952125
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| Compound Name |
N-{[6-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(3-thienylmethyl)-L-tyrosine
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| Structure |
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| Formula |
C28H22ClN3O4S
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| Molecular Weight |
532.021
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| Canonical SMILES |
O=C(N[C@@H](Cc1ccc(OCc2ccsc2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C28H22ClN3O4S/c29-22-6-3-20(4-7-22)21-5-10-26-30-25(15-32(26)14-21)27(33)31-24(28(34)35)13-18-1-8-23(9-2-18)36-16-19-11-12-37-17-19/h1-12,14-15,17,24H,13,16H2,(H,31,33)(H,34,35)/t24-/m0/s1
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| InChIKey |
SIFPNYANGOFENF-DEOSSOPVSA-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