General Information of the Compound
| Compound ID |
CP0491966
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| Compound Name |
3-[[(2S)-2-(4-phenylmethoxyphenyl)-2-[[4-[4-(trifluoromethyl)phenoxy]benzoyl]amino]acetyl]amino]benzamide
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| Formula |
C36H28F3N3O5
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| Molecular Weight |
639.63
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc(cc3)C(F)(F)F)cc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C36H28F3N3O5/c37-36(38,39)27-13-19-31(20-14-27)47-30-17-11-25(12-18-30)34(44)42-32(35(45)41-28-8-4-7-26(21-28)33(40)43)24-9-15-29(16-10-24)46-22-23-5-2-1-3-6-23/h1-21,32H,22H2,(H2,40,43)(H,41,45)(H,42,44)/t32-/m0/s1
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| InChIKey |
RNJZSKJJNTVURL-YTTGMZPUSA-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