General Information of the Compound
| Compound ID |
CP0531601
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| Compound Name |
4-[[[(2S)-2-(heptylsulfonylamino)-2-(4-phenylmethoxyphenyl)acetyl]amino]methyl]benzamide
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| Formula |
C30H37N3O5S
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| Molecular Weight |
551.709
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| Canonical SMILES |
CCCCCCCS(=O)(=O)N[C@H](C(=O)NCc1ccc(cc1)C(N)=O)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H37N3O5S/c1-2-3-4-5-9-20-39(36,37)33-28(30(35)32-21-23-12-14-26(15-13-23)29(31)34)25-16-18-27(19-17-25)38-22-24-10-7-6-8-11-24/h6-8,10-19,28,33H,2-5,9,20-22H2,1H3,(H2,31,34)(H,32,35)/t28-/m0/s1
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| InChIKey |
NDRLUSLSYOPAQK-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