General Information of the Compound
| Compound ID |
CP0062175
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| Compound Name |
5-(4-Chloro-phenyl)-2,2-dimethyl-2,3-dihydro-1H,5H-6-oxa-1-aza-chrysen-4-one
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| Structure |
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| Formula |
C24H20ClNO2
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| Molecular Weight |
389.882
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| Canonical SMILES |
CC1(C)CC(=O)c2c(N1)ccc1-c3ccccc3OC(c3ccc(Cl)cc3)c21
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| InChI |
InChI=1S/C24H20ClNO2/c1-24(2)13-19(27)22-18(26-24)12-11-17-16-5-3-4-6-20(16)28-23(21(17)22)14-7-9-15(25)10-8-14/h3-12,23,26H,13H2,1-2H3
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| InChIKey |
ULQQAJOXIKLWSL-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