General Information of the Compound
| Compound ID |
CP0907197
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| Compound Name |
SID99359305
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| Structure |
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| Formula |
C36H45Cl2FN4O5
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| Molecular Weight |
703.683
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O1
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| InChI |
InChI=1S/C36H45Cl2FN4O5/c1-23-19-43(24(2)22-44)35(45)30-18-29(41-36(46)40-28-11-9-27(39)10-12-28)13-15-33(30)48-25(3)7-5-6-16-47-34(23)21-42(4)20-26-8-14-31(37)32(38)17-26/h8-15,17-18,23-25,34,44H,5-7,16,19-22H2,1-4H3,(H2,40,41,46)/t23-,24+,25-,34-/m1/s1
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| InChIKey |
FDDMFJKLVOMWML-ZHBPACGQSA-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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8