General Information of the Compound
| Compound ID |
CP0450575
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| Compound Name |
US9212153, 227,Ex. 184
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| Structure |
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| Formula |
C27H28N4O2
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| Molecular Weight |
440.547
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C3CC3)C2=O)-c2cccc(c2)[N+]#[C-])CC1
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| InChI |
InChI=1S/C27H28N4O2/c1-29-20-5-3-4-17(14-20)18-6-7-19-16-26(12-10-22(33-2)11-13-26)27(23(19)15-18)24(32)31(21-8-9-21)25(28)30-27/h3-7,14-15,21-22H,8-13,16H2,2H3,(H2,28,30)
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| InChIKey |
WHOUPYXUJIDWIV-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