General Information of the Compound
| Compound ID |
CP0547007
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| Compound Name |
3-[[(2S)-2-[[4-(2,3-dihydro-1,4-benzodioxin-6-yloxy)benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C37H31N3O7
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| Molecular Weight |
629.669
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc4OCCOc4c3)cc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C37H31N3O7/c38-35(41)27-7-4-8-28(21-27)39-37(43)34(25-9-13-29(14-10-25)46-23-24-5-2-1-3-6-24)40-36(42)26-11-15-30(16-12-26)47-31-17-18-32-33(22-31)45-20-19-44-32/h1-18,21-22,34H,19-20,23H2,(H2,38,41)(H,39,43)(H,40,42)/t34-/m0/s1
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| InChIKey |
YRIHVAFIAVFEET-UMSFTDKQSA-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