General Information of the Compound
| Compound ID |
CP0577231
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| Compound Name |
2-amino-4-(3-nitrophenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C20H13N3O3
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| Molecular Weight |
343.342
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| Canonical SMILES |
NC1=C(C#N)C(c2cccc(c2)[N+]([O-])=O)c2ccc3ccccc3c2O1
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| InChI |
InChI=1S/C20H13N3O3/c21-11-17-18(13-5-3-6-14(10-13)23(24)25)16-9-8-12-4-1-2-7-15(12)19(16)26-20(17)22/h1-10,18H,22H2
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| InChIKey |
KLHQWXOILCCTOX-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