General Information of the Compound
| Compound ID |
CP0531604
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| Compound Name |
3-[[(2S)-2-[[4-(1,3-benzodioxol-5-yloxy)benzoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C36H29N3O7
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| Molecular Weight |
615.642
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| Canonical SMILES |
NC(=O)c1cccc(NC(=O)[C@@H](NC(=O)c2ccc(Oc3ccc4OCOc4c3)cc2)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C36H29N3O7/c37-34(40)26-7-4-8-27(19-26)38-36(42)33(24-9-13-28(14-10-24)43-21-23-5-2-1-3-6-23)39-35(41)25-11-15-29(16-12-25)46-30-17-18-31-32(20-30)45-22-44-31/h1-20,33H,21-22H2,(H2,37,40)(H,38,42)(H,39,41)/t33-/m0/s1
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| InChIKey |
IFURGCWYCRDPMB-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