General Information of the Compound
| Compound ID |
CP0443457
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| Compound Name |
N-[5-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C26H31N5O3
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| Molecular Weight |
461.566
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1
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| InChI |
InChI=1S/C26H31N5O3/c1-19(2)34-25-9-6-21(16-23(25)29-26(32)24-17-27-10-11-28-24)31-14-12-30(13-15-31)18-20-4-7-22(33-3)8-5-20/h4-11,16-17,19H,12-15,18H2,1-3H3,(H,29,32)
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| InChIKey |
YSZNNTBKYVTHJB-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