General Information of the Compound
| Compound ID |
CP0571030
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| Compound Name |
2-amino-4-(2-bromo-3,4,5-trimethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C23H19BrN2O4
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| Molecular Weight |
467.319
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| Canonical SMILES |
COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc32)c(Br)c(OC)c1OC
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| InChI |
InChI=1S/C23H19BrN2O4/c1-27-17-10-15(19(24)22(29-3)21(17)28-2)18-14-9-8-12-6-4-5-7-13(12)20(14)30-23(26)16(18)11-25/h4-10,18H,26H2,1-3H3
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| InChIKey |
VOWZRRTXLHYEEN-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