General Information of the Compound
| Compound ID |
CP0547010
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| Compound Name |
3-[[(2S)-2-[(4-morpholin-4-ylbenzoyl)amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C33H32N4O5
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| Molecular Weight |
564.642
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(cc2)N2CCOCC2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C33H32N4O5/c34-31(38)26-7-4-8-27(21-26)35-33(40)30(24-11-15-29(16-12-24)42-22-23-5-2-1-3-6-23)36-32(39)25-9-13-28(14-10-25)37-17-19-41-20-18-37/h1-16,21,30H,17-20,22H2,(H2,34,38)(H,35,40)(H,36,39)/t30-/m0/s1
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| InChIKey |
PLGYWJMRXCIBNL-PMERELPUSA-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