General Information of the Compound
| Compound ID |
CP0412501
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| Compound Name |
2-nitro-4-[[2-(3-nitrophenyl)quinazolin-4-yl]amino]phenol
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| Structure |
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| Formula |
C20H13N5O5
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| Molecular Weight |
403.354
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| Canonical SMILES |
Oc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C20H13N5O5/c26-18-9-8-13(11-17(18)25(29)30)21-20-15-6-1-2-7-16(15)22-19(23-20)12-4-3-5-14(10-12)24(27)28/h1-11,26H,(H,21,22,23)
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| InChIKey |
ZMTKSODLOVKRRC-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