General Information of the Compound
| Compound ID |
CP0856710
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| Compound Name |
SID131413828
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| Structure |
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| Formula |
C32H38N2O5S
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| Molecular Weight |
562.732
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| Canonical SMILES |
C[C@H](O)C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1ccc(-c3ccccc3)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C32H38N2O5S/c1-23-19-34(24(2)22-35)40(37,38)32-17-14-26(11-10-25(3)36)18-30(32)39-31(23)21-33(4)20-27-12-15-29(16-13-27)28-8-6-5-7-9-28/h5-9,12-18,23-25,31,35-36H,19-22H2,1-4H3/t23-,24+,25-,31-/m0/s1
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| InChIKey |
AXBJPSYRCLUHNL-PBANKSGMSA-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