General Information of the Compound
| Compound ID |
CP0546448
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| Compound Name |
N-[5-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H28N6O4
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| Molecular Weight |
476.537
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| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2cccc(c2)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C25H28N6O4/c1-18(2)35-24-7-6-20(15-22(24)28-25(32)23-16-26-8-9-27-23)30-12-10-29(11-13-30)17-19-4-3-5-21(14-19)31(33)34/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,28,32)
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| InChIKey |
TZRGOKJKFKLMNZ-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