General Information of the Compound
| Compound ID |
CP0537327
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| Compound Name |
benzotriazol-1-yl 1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypent-1-ynyl)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C32H38N4O3
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| Molecular Weight |
526.681
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(C#CC(O)(CC)CC)c(C)c1)C(=O)On1nnc2ccccc12
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| InChI |
InChI=1S/C32H38N4O3/c1-7-31(38,8-2)21-20-24-16-17-25(22-23(24)6)32(9-3,10-4)29-19-18-28(35(29)11-5)30(37)39-36-27-15-13-12-14-26(27)33-34-36/h12-19,22,38H,7-11H2,1-6H3
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| InChIKey |
VVXRAKXPQZLNJK-UHFFFAOYSA-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