General Information of the Compound
| Compound ID |
CP0394146
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| Compound Name |
2-(6-tert-butyl-3-chloro-4-methoxy-9-oxoacridin-10-yl)acetic acid
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| Structure |
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| Formula |
C20H20ClNO4
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| Molecular Weight |
373.836
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| Canonical SMILES |
COc1c(Cl)ccc2c1n(CC(O)=O)c1cc(ccc1c2=O)C(C)(C)C
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| InChI |
InChI=1S/C20H20ClNO4/c1-20(2,3)11-5-6-12-15(9-11)22(10-16(23)24)17-13(18(12)25)7-8-14(21)19(17)26-4/h5-9H,10H2,1-4H3,(H,23,24)
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| InChIKey |
NTQTUCAAZNOLPM-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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