General Information of the Compound
| Compound ID |
CP0491967
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| Compound Name |
3-[[(2S)-2-[(4-benzoylbenzoyl)amino]-2-[4-[(3-methoxyphenyl)methoxy]phenyl]acetyl]amino]benzamide
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| Formula |
C37H31N3O6
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| Molecular Weight |
613.67
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| Canonical SMILES |
COc1cccc(COc2ccc(cc2)[C@H](NC(=O)c2ccc(cc2)C(=O)c2ccccc2)C(=O)Nc2cccc(c2)C(N)=O)c1
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| InChI |
InChI=1S/C37H31N3O6/c1-45-32-12-5-7-24(21-32)23-46-31-19-17-25(18-20-31)33(37(44)39-30-11-6-10-29(22-30)35(38)42)40-36(43)28-15-13-27(14-16-28)34(41)26-8-3-2-4-9-26/h2-22,33H,23H2,1H3,(H2,38,42)(H,39,44)(H,40,43)/t33-/m0/s1
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| InChIKey |
POZOATHYURJGQK-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