General Information of the Compound
| Compound ID |
CP0499285
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| Compound Name |
3-(2-hydroxyphenyl)-7-nitro-1,4,5,6-tetrahydrobenzo[h]quinazolin-2-one
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| Structure |
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| Formula |
C18H15N3O4
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| Molecular Weight |
337.335
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| Canonical SMILES |
Oc1ccccc1N1CC2=C(NC1=O)c1cccc(c1CC2)[N+]([O-])=O
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| InChI |
InChI=1S/C18H15N3O4/c22-16-7-2-1-5-15(16)20-10-11-8-9-12-13(17(11)19-18(20)23)4-3-6-14(12)21(24)25/h1-7,22H,8-10H2,(H,19,23)
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| InChIKey |
RBTWKWYDDCNDFU-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