General Information of the Compound
| Compound ID |
CP0568568
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| Compound Name |
2-amino-4-(3,5-dimethoxy-4-prop-2-enoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C25H22N2O4
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| Molecular Weight |
414.461
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| Canonical SMILES |
COc1cc(cc(OC)c1OCC=C)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
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| InChI |
InChI=1S/C25H22N2O4/c1-4-11-30-24-20(28-2)12-16(13-21(24)29-3)22-18-10-9-15-7-5-6-8-17(15)23(18)31-25(27)19(22)14-26/h4-10,12-13,22H,1,11,27H2,2-3H3
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| InChIKey |
LOSDQHCJIMFLOV-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