General Information of the Compound
| Compound ID |
CP0564485
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| Compound Name |
6-[4-(4-methylpiperazin-1-yl)phenyl]-N-(3-nitrophenyl)-9H-pyrido[2,3-b]indol-4-amine
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| Structure |
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| Formula |
C28H26N6O2
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| Molecular Weight |
478.556
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(Nc4cccc(c4)[N+]([O-])=O)c3c2c1
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| InChI |
InChI=1S/C28H26N6O2/c1-32-13-15-33(16-14-32)22-8-5-19(6-9-22)20-7-10-25-24(17-20)27-26(11-12-29-28(27)31-25)30-21-3-2-4-23(18-21)34(35)36/h2-12,17-18H,13-16H2,1H3,(H2,29,30,31)
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| InChIKey |
ONYXRSLJLMFWDJ-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