General Information of the Compound
| Compound ID |
CP0431092
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| Compound Name |
1-Butyl-1-[4'-((2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxo-piperazin-2-ylmethyl)-biphenyl-3-ylmethyl]-3-methyl-urea
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| Structure |
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| Formula |
C34H50N4O3
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| Molecular Weight |
562.799
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| Canonical SMILES |
CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(=O)NC)c2)C1=O
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| InChI |
InChI=1S/C34H50N4O3/c1-6-8-10-11-12-13-22-38-26(3)32(39)36(5)31(33(38)40)24-27-17-19-29(20-18-27)30-16-14-15-28(23-30)25-37(21-9-7-2)34(41)35-4/h14-20,23,26,31H,6-13,21-22,24-25H2,1-5H3,(H,35,41)/t26-,31-/m0/s1
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| InChIKey |
KJFNVZWMMSMURV-HVNZXBJASA-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