General Information of the Compound
| Compound ID |
CP0290389
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| Compound Name |
(10-Methoxy-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysen-5-yl)-acetic acid
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| Structure |
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| Formula |
C22H23NO4
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| Molecular Weight |
365.429
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| Canonical SMILES |
COc1cccc2OC(CC(O)=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C22H23NO4/c1-12-11-22(2,3)23-14-9-8-13-20-15(26-4)6-5-7-16(20)27-17(10-18(24)25)21(13)19(12)14/h5-9,11,17,23H,10H2,1-4H3,(H,24,25)
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| InChIKey |
HXGINZRMCUIHOF-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