General Information of the Compound
| Compound ID |
CP0385607
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| Compound Name |
N-[5-[1-[[4-(diethylamino)phenyl]methyl]piperidin-4-yl]-2-methoxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C28H35N5O2
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| Molecular Weight |
473.621
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| Canonical SMILES |
CCN(CC)c1ccc(CN2CCC(CC2)c2ccc(OC)c(NC(=O)c3cnccn3)c2)cc1
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| InChI |
InChI=1S/C28H35N5O2/c1-4-33(5-2)24-9-6-21(7-10-24)20-32-16-12-22(13-17-32)23-8-11-27(35-3)25(18-23)31-28(34)26-19-29-14-15-30-26/h6-11,14-15,18-19,22H,4-5,12-13,16-17,20H2,1-3H3,(H,31,34)
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| InChIKey |
TYLWQVNABXQUNI-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