General Information of the Compound
| Compound ID |
CP0391444
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| Compound Name |
N-[5-[4-[(3,5-dinitrophenyl)methyl]piperazin-1-yl]-2-propan-2-yloxyphenyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C25H27N7O6
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| Molecular Weight |
521.534
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| Canonical SMILES |
CC(C)Oc1ccc(cc1NC(=O)c1cnccn1)N1CCN(Cc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)CC1
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| InChI |
InChI=1S/C25H27N7O6/c1-17(2)38-24-4-3-19(14-22(24)28-25(33)23-15-26-5-6-27-23)30-9-7-29(8-10-30)16-18-11-20(31(34)35)13-21(12-18)32(36)37/h3-6,11-15,17H,7-10,16H2,1-2H3,(H,28,33)
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| InChIKey |
FRVHVGYVXORZDP-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