General Information of the Compound
| Compound ID |
CP0897521
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| Compound Name |
SID131415135
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| Structure |
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| Formula |
C29H38N2O6S
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| Molecular Weight |
542.698
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| Canonical SMILES |
CC(C)CC#Cc1ccc2c(c1)O[C@H](CN(C)Cc1ccc(C(=O)O)cc1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C29H38N2O6S/c1-20(2)7-6-8-23-11-14-28-26(15-23)37-27(21(3)16-31(22(4)19-32)38(28,35)36)18-30(5)17-24-9-12-25(13-10-24)29(33)34/h9-15,20-22,27,32H,7,16-19H2,1-5H3,(H,33,34)/t21-,22+,27+/m0/s1
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| InChIKey |
RBCXQKUITVRWCX-OREGWCPLSA-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