General Information of the Compound
| Compound ID |
CP0091271
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| Compound Name |
3-ethyl-19-methyl-7-[(1E)-1-[(2-methylpropoxy)imino]ethyl]-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
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| Structure |
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| Formula |
C28H31N5O2
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| Molecular Weight |
469.589
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| Canonical SMILES |
CCn1c2ccc(cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12)C(\C)=N\OCC(C)C
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| InChI |
InChI=1S/C28H31N5O2/c1-6-33-23-10-7-17(16(4)31-35-14-15(2)3)11-19(23)25-20-12-29-28(34)26(20)24-18(27(25)33)8-9-22-21(24)13-32(5)30-22/h7,10-11,13,15H,6,8-9,12,14H2,1-5H3,(H,29,34)/b31-16+
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| InChIKey |
RWSJUXSATAVQQG-WCMJOSRZSA-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