General Information of the Compound
| Compound ID |
CP0491976
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| Compound Name |
3-[[(2S)-2-[[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]amino]-2-(4-phenylmethoxyphenyl)acetyl]amino]benzamide
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| Formula |
C37H41N3O5
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| Molecular Weight |
607.751
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| Canonical SMILES |
Cc1ccc(C)c(OCCCC(C)(C)C(=O)N[C@H](C(=O)Nc2cccc(c2)C(N)=O)c2ccc(OCc3ccccc3)cc2)c1
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| InChI |
InChI=1S/C37H41N3O5/c1-25-14-15-26(2)32(22-25)44-21-9-20-37(3,4)36(43)40-33(35(42)39-30-13-8-12-29(23-30)34(38)41)28-16-18-31(19-17-28)45-24-27-10-6-5-7-11-27/h5-8,10-19,22-23,33H,9,20-21,24H2,1-4H3,(H2,38,41)(H,39,42)(H,40,43)/t33-/m0/s1
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| InChIKey |
CJUYVSGKCMTRFU-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