General Information of the Compound
| Compound ID |
CP0578691
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| Compound Name |
2-amino-4-(3-methoxy-4-phenylmethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C28H22N2O3
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| Molecular Weight |
434.495
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| Canonical SMILES |
COc1cc(ccc1OCc1ccccc1)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
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| InChI |
InChI=1S/C28H22N2O3/c1-31-25-15-20(12-14-24(25)32-17-18-7-3-2-4-8-18)26-22-13-11-19-9-5-6-10-21(19)27(22)33-28(30)23(26)16-29/h2-15,26H,17,30H2,1H3
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| InChIKey |
COFQPQIGILBZPM-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