General Information of the Compound
| Compound ID |
CP0930556
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| Compound Name |
SID131412039
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| Structure |
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| Formula |
C32H43ClF3N3O7S
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| Molecular Weight |
706.224
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1
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| InChI |
InChI=1S/C32H43ClF3N3O7S/c1-21-18-39(22(2)20-40)31(42)27-17-25(37-30(41)14-15-32(34,35)36)10-13-28(27)46-23(3)7-5-6-16-45-29(21)19-38(4)47(43,44)26-11-8-24(33)9-12-26/h8-13,17,21-23,29,40H,5-7,14-16,18-20H2,1-4H3,(H,37,41)/t21-,22-,23+,29+/m0/s1
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| InChIKey |
FBZKDZRIIZOXOE-UJUOIFIWSA-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