General Information of the Compound
| Compound ID |
CP0279772
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| Compound Name |
5-(4-Chloro-phenyl)-2,2,4,4-tetramethyl-1,2,4,5-tetrahydro-6-oxa-1-aza-chrysen-3-one
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| Structure |
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| Formula |
C26H24ClNO2
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| Molecular Weight |
417.936
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| Canonical SMILES |
CC1(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c2C(C)(C)C1=O
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| InChI |
InChI=1S/C26H24ClNO2/c1-25(2)22-19(28-26(3,4)24(25)29)14-13-18-17-7-5-6-8-20(17)30-23(21(18)22)15-9-11-16(27)12-10-15/h5-14,23,28H,1-4H3
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| InChIKey |
BSNXEAPCSYQIRZ-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