General Information of the Compound
| Compound ID |
CP0488060
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| Compound Name |
methyl 4-[[4-[4-propan-2-yloxy-3-(pyrazine-2-carbonylamino)phenyl]piperazin-1-yl]methyl]benzoate
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| Structure |
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| Formula |
C27H31N5O4
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| Molecular Weight |
489.576
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| Canonical SMILES |
COC(=O)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1
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| InChI |
InChI=1S/C27H31N5O4/c1-19(2)36-25-9-8-22(16-23(25)30-26(33)24-17-28-10-11-29-24)32-14-12-31(13-15-32)18-20-4-6-21(7-5-20)27(34)35-3/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,30,33)
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| InChIKey |
VEOSOVNOHIBZSV-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