General Information of the Compound
| Compound ID |
CP0547744
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| Compound Name |
N-[5-[4-[[4-(diethylamino)phenyl]methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C29H38N6O2
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| Molecular Weight |
502.663
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| Canonical SMILES |
CCN(CC)c1ccc(CN2CCN(CC2)c2ccc(OC(C)C)c(NC(=O)c3cnccn3)c2)cc1
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| InChI |
InChI=1S/C29H38N6O2/c1-5-34(6-2)24-9-7-23(8-10-24)21-33-15-17-35(18-16-33)25-11-12-28(37-22(3)4)26(19-25)32-29(36)27-20-30-13-14-31-27/h7-14,19-20,22H,5-6,15-18,21H2,1-4H3,(H,32,36)
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| InChIKey |
XGQZSCPLPSBVAV-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