General Information of the Compound
| Compound ID |
CP0048865
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| Compound Name |
5-Allyl-10-methoxy-2,2,4-trimethyl-9-prop-2-ynyloxy-2,5-dihydro-1H-6-oxa-1-aza-chrysene
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
COc1c(OCC#C)ccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C26H27NO3/c1-7-9-19-23-17(10-11-18-22(23)16(3)15-26(4,5)27-18)24-20(30-19)12-13-21(25(24)28-6)29-14-8-2/h2,7,10-13,15,19,27H,1,9,14H2,3-6H3
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| InChIKey |
BBNUFIDEQWMAMG-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