General Information of the Compound
| Compound ID |
CP0491971
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| Compound Name |
4-[[[(2S)-2-(pentanoylamino)-2-(4-phenylmethoxyphenyl)acetyl]amino]methyl]benzamide
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| Formula |
C28H31N3O4
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| Molecular Weight |
473.573
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| Canonical SMILES |
CCCCC(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C28H31N3O4/c1-2-3-9-25(32)31-26(28(34)30-18-20-10-12-23(13-11-20)27(29)33)22-14-16-24(17-15-22)35-19-21-7-5-4-6-8-21/h4-8,10-17,26H,2-3,9,18-19H2,1H3,(H2,29,33)(H,30,34)(H,31,32)/t26-/m0/s1
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| InChIKey |
ZUGWFSFVYZDEAM-SANMLTNESA-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