General Information of the Compound
| Compound ID |
CP0571031
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| Compound Name |
2-amino-4-(3,5-dimethoxy-4-pentoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
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| Structure |
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| Formula |
C27H28N2O4
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| Molecular Weight |
444.531
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| Canonical SMILES |
CCCCCOc1c(OC)cc(cc1OC)C1C(C#N)=C(N)Oc2c1ccc1ccccc21
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| InChI |
InChI=1S/C27H28N2O4/c1-4-5-8-13-32-26-22(30-2)14-18(15-23(26)31-3)24-20-12-11-17-9-6-7-10-19(17)25(20)33-27(29)21(24)16-28/h6-7,9-12,14-15,24H,4-5,8,13,29H2,1-3H3
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| InChIKey |
RJKMVXBYJRMIEM-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