General Information of the Compound
| Compound ID |
CP0873976
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| Compound Name |
SID92764122
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| Structure |
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| Formula |
C34H33Cl2N3O10
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| Molecular Weight |
714.555
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| Canonical SMILES |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=NNC(=O)c1ccc(Cl)c(Cl)c1)CC3OC1CC(N)C(O)C(C)O1
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| InChI |
InChI=1S/C34H33Cl2N3O10/c1-13-28(40)20(37)10-23(48-13)49-22-12-34(46,14(2)38-39-33(45)15-7-8-18(35)19(36)9-15)11-17-25(22)32(44)27-26(30(17)42)29(41)16-5-4-6-21(47-3)24(16)31(27)43/h4-9,13,20,22-23,28,40,42,44,46H,10-12,37H2,1-3H3,(H,39,45)
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| InChIKey |
PLKAAMCNINKMGX-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8