General Information of the Compound
| Compound ID |
CP0528806
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| Compound Name |
(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-7-yl) 4-(3-nitrophenyl)benzoate
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| Structure |
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| Formula |
C24H21NO6
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| Molecular Weight |
419.433
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| Canonical SMILES |
CC1(C)Oc2cc(OC(=O)c3ccc(cc3)-c3cccc(c3)[N+]([O-])=O)ccc2CC1O
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| InChI |
InChI=1S/C24H21NO6/c1-24(2)22(26)13-18-10-11-20(14-21(18)31-24)30-23(27)16-8-6-15(7-9-16)17-4-3-5-19(12-17)25(28)29/h3-12,14,22,26H,13H2,1-2H3
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| InChIKey |
RHFQPJUHFZCFRM-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