General Information of the Compound
| Compound ID |
CP0443299
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| Compound Name |
methyl 2-(4-bromophenyl)-2-propan-2-yl-5-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]pentanoate
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| Structure |
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| Formula |
C29H41BrN2O5
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| Molecular Weight |
577.56
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| Canonical SMILES |
COC(=O)C(CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)(C(C)C)c1ccc(Br)cc1
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| InChI |
InChI=1S/C29H41BrN2O5/c1-21(2)29(28(33)37-6,23-9-11-24(30)12-10-23)14-7-15-31-16-18-32(19-17-31)20-22-8-13-25(34-3)27(36-5)26(22)35-4/h8-13,21H,7,14-20H2,1-6H3
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| InChIKey |
CHACAHBBLAVNNH-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