General Information of the Compound
| Compound ID |
CP0379573
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| Compound Name |
N-[2-methoxy-5-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]phenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H25N5O4
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| Molecular Weight |
447.495
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| Canonical SMILES |
COc1ccc(cc1NC(=O)c1cnccn1)C1CCN(Cc2ccc(cc2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C24H25N5O4/c1-33-23-7-4-19(14-21(23)27-24(30)22-15-25-10-11-26-22)18-8-12-28(13-9-18)16-17-2-5-20(6-3-17)29(31)32/h2-7,10-11,14-15,18H,8-9,12-13,16H2,1H3,(H,27,30)
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| InChIKey |
MIWHEUSUNJLFSA-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