General Information of the Compound
| Compound ID |
CP0935267
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| Compound Name |
SID131412704
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| Structure |
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| Formula |
C37H48F3N3O6S
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| Molecular Weight |
719.867
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc(C(F)(F)F)cc2)OCCCC[C@@H](C)O3)cc1
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| InChI |
InChI=1S/C37H48F3N3O6S/c1-25-9-16-32(17-10-25)50(46,47)41-31-15-18-34-33(20-31)36(45)43(27(3)24-44)21-26(2)35(48-19-7-6-8-28(4)49-34)23-42(5)22-29-11-13-30(14-12-29)37(38,39)40/h9-18,20,26-28,35,41,44H,6-8,19,21-24H2,1-5H3/t26-,27-,28-,35+/m1/s1
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| InChIKey |
ZBBNPLMVFVREHD-GBJJYOARSA-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