General Information of the Compound
| Compound ID |
CP0231206
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| Compound Name |
US8957093, 297
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| Structure |
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| Formula |
C36H34N2O3
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| Molecular Weight |
542.679
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| Canonical SMILES |
C[C@H](NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1)c1cccc(c1)C1CC1
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| InChI |
InChI=1S/C36H34N2O3/c1-22-24(3)38(21-25-11-13-27(14-12-25)31-9-4-5-10-32(31)36(40)41)34-18-17-30(20-33(22)34)35(39)37-23(2)28-7-6-8-29(19-28)26-15-16-26/h4-14,17-20,23,26H,15-16,21H2,1-3H3,(H,37,39)(H,40,41)/t23-/m0/s1
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| InChIKey |
WFYZRGARXVIIQQ-QHCPKHFHSA-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