General Information of the Compound
| Compound ID |
CP0375846
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| Compound Name |
(3S,6S)-1,3-Dimethyl-4-octyl-6-(3',4',5'-trimethoxy-biphenyl-4-ylmethyl)-piperazine-2,5-dione
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| Structure |
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| Formula |
C30H42N2O5
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| Molecular Weight |
510.675
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| Canonical SMILES |
CCCCCCCCN1[C@@H](C)C(=O)N(C)[C@@H](Cc2ccc(cc2)-c2cc(OC)c(OC)c(OC)c2)C1=O
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| InChI |
InChI=1S/C30H42N2O5/c1-7-8-9-10-11-12-17-32-21(2)29(33)31(3)25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-4)28(37-6)27(20-24)36-5/h13-16,19-21,25H,7-12,17-18H2,1-6H3/t21-,25-/m0/s1
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| InChIKey |
KKWAMGGZQCLTJI-OFVILXPXSA-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