General Information of the Compound
| Compound ID |
CP0931113
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)-1-methyl-1H-indole-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C32H27ClN2O4
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| Molecular Weight |
539.031
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| Canonical SMILES |
Cn1c(C(=O)NC(Cc2ccc(OCc3ccccc3)cc2)C(=O)O)cc2ccc(-c3ccc(Cl)cc3)cc21
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| InChI |
InChI=1S/C32H27ClN2O4/c1-35-29-18-24(23-11-13-26(33)14-12-23)9-10-25(29)19-30(35)31(36)34-28(32(37)38)17-21-7-15-27(16-8-21)39-20-22-5-3-2-4-6-22/h2-16,18-19,28H,17,20H2,1H3,(H,34,36)(H,37,38)
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| InChIKey |
BDFJOPQBXQYVJO-UHFFFAOYSA-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