General Information of the Compound
| Compound ID |
CP0478796
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| Compound Name |
8,12,14-trimethyl-9-(5-methylfuran-2-yl)-17-phenyl-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,16-pentaene-13,15-dione
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| Structure |
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| Formula |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
CN1C(c2ccc(C)o2)c2n(c(-c3ccccc3)c3c2n(C)c(=O)n(C)c3=O)-c2ccccc12
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| InChI |
InChI=1S/C27H24N4O3/c1-16-14-15-20(34-16)23-25-24-21(26(32)30(4)27(33)29(24)3)22(17-10-6-5-7-11-17)31(25)19-13-9-8-12-18(19)28(23)2/h5-15,23H,1-4H3
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| InChIKey |
JIDDZVVFHRQWKU-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