General Information of the Compound
| Compound ID |
CP0532380
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| Compound Name |
N-butyl-N-[[3-[4-[[(2S,5S)-1,5-dimethyl-4-octyl-3,6-dioxopiperazin-2-yl]methyl]phenyl]phenyl]methyl]acetamide
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| Structure |
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| Formula |
C34H49N3O3
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| Molecular Weight |
547.784
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| Canonical SMILES |
CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cccc(CN(CCCC)C(C)=O)c2)C1=O
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| InChI |
InChI=1S/C34H49N3O3/c1-6-8-10-11-12-13-22-37-26(3)33(39)35(5)32(34(37)40)24-28-17-19-30(20-18-28)31-16-14-15-29(23-31)25-36(27(4)38)21-9-7-2/h14-20,23,26,32H,6-13,21-22,24-25H2,1-5H3/t26-,32-/m0/s1
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| InChIKey |
DDUJXQGQQJZZBB-IEWVHIKDSA-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