General Information of the Compound
| Compound ID |
CP0366392
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| Compound Name |
US8957093, 257
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| Structure |
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| Formula |
C36H36N2O4
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| Molecular Weight |
560.694
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| Canonical SMILES |
CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc2n(Cc3ccc(cc3)-c3ccccc3C(O)=O)c(C)c(C)c2c1
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| InChI |
InChI=1S/C36H36N2O4/c1-22(2)42-34-13-9-8-10-29(34)24(4)37-35(39)28-18-19-33-32(20-28)23(3)25(5)38(33)21-26-14-16-27(17-15-26)30-11-6-7-12-31(30)36(40)41/h6-20,22,24H,21H2,1-5H3,(H,37,39)(H,40,41)/t24-/m0/s1
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| InChIKey |
GUONGSVVVOLRQE-DEOSSOPVSA-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