General Information of the Compound
| Compound ID |
CP0559447
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| Compound Name |
4-[[[(2S)-2-(hexanoylamino)-2-[4-[(3-methoxyphenyl)methoxy]phenyl]acetyl]amino]methyl]benzamide
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| Formula |
C30H35N3O5
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| Molecular Weight |
517.626
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| Canonical SMILES |
CCCCCC(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=O)c1ccc(OCc2cccc(OC)c2)cc1
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| InChI |
InChI=1S/C30H35N3O5/c1-3-4-5-9-27(34)33-28(30(36)32-19-21-10-12-24(13-11-21)29(31)35)23-14-16-25(17-15-23)38-20-22-7-6-8-26(18-22)37-2/h6-8,10-18,28H,3-5,9,19-20H2,1-2H3,(H2,31,35)(H,32,36)(H,33,34)/t28-/m0/s1
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| InChIKey |
XUPNDGGDDSLHOW-NDEPHWFRSA-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