General Information of the Compound
| Compound ID |
CP0425970
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| Compound Name |
9-(5-chlorofuran-2-yl)-12,14-dimethyl-17-(3-methylphenyl)-8-oxa-1,12,14-triazatetracyclo[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 |
C26H20ClN3O4
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| Molecular Weight |
473.916
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| Canonical SMILES |
Cc1cccc(c1)-c1n-2c(C(Oc3ccccc-23)c2ccc(Cl)o2)c2n(C)c(=O)n(C)c(=O)c12
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| InChI |
InChI=1S/C26H20ClN3O4/c1-14-7-6-8-15(13-14)21-20-22(28(2)26(32)29(3)25(20)31)23-24(18-11-12-19(27)33-18)34-17-10-5-4-9-16(17)30(21)23/h4-13,24H,1-3H3
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| InChIKey |
WBHDWTSWZKHGQU-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