General Information of the Compound
| Compound ID |
CP0449095
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| Compound Name |
5-Allyl-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene-10-carboxylic acid methyl ester
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| Structure |
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| Formula |
C24H25NO3
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| Molecular Weight |
375.468
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| Canonical SMILES |
COC(=O)c1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C24H25NO3/c1-6-8-18-22-15(11-12-17-20(22)14(2)13-24(3,4)25-17)21-16(23(26)27-5)9-7-10-19(21)28-18/h6-7,9-13,18,25H,1,8H2,2-5H3
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| InChIKey |
ATDPSUIIYYUMNQ-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