General Information of the Compound
| Compound ID |
CP0572068
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| Compound Name |
(1S,3aS,6aR)-1-(4-chlorophenyl)-5-(3,5-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
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| Formula |
C28H20ClNO5
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| Molecular Weight |
485.923
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| Canonical SMILES |
Cc1cc(C)cc(c1)N1C(=O)[C@H]2[C@H](OC3([C@H]2C1=O)C(=O)c1ccccc1C3=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C28H20ClNO5/c1-14-11-15(2)13-18(12-14)30-26(33)21-22(27(30)34)28(35-23(21)16-7-9-17(29)10-8-16)24(31)19-5-3-4-6-20(19)25(28)32/h3-13,21-23H,1-2H3/t21-,22-,23-/m1/s1
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| InChIKey |
JJIYRXZFRCGGNL-DNVJHFABSA-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