General Information of the Compound
| Compound ID |
CP0552992
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| Compound Name |
3-[[(2S)-2-[[4-(4-cyanophenoxy)benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C36H28N4O5
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| Molecular Weight |
596.643
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc(cc3)C#N)cc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C36H28N4O5/c37-22-24-9-15-31(16-10-24)45-32-19-13-27(14-20-32)35(42)40-33(36(43)39-29-8-4-7-28(21-29)34(38)41)26-11-17-30(18-12-26)44-23-25-5-2-1-3-6-25/h1-21,33H,23H2,(H2,38,41)(H,39,43)(H,40,42)/t33-/m0/s1
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| InChIKey |
STVZANCSANTGOP-XIFFEERXSA-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