General Information of the Compound
| Compound ID |
CP0553851
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| Compound Name |
US8969358, 126
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| Structure |
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| Formula |
C25H31F3N2O5S
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| Molecular Weight |
528.593
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| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1CNS(=O)(=O)C(F)(F)F)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45
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| InChI |
InChI=1S/C25H31F3N2O5S/c1-34-24-7-6-22(11-16(24)12-29-36(32,33)25(26,27)28)18-10-15-4-5-17(31)20-19(15)23(22,21(24)35-20)8-9-30(18)13-14-2-3-14/h4-5,14,16,18,21,29,31H,2-3,6-13H2,1H3/t16-,18-,21-,22-,23+,24-/m1/s1
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| InChIKey |
DBYJKTCLOIZIKS-RXCHFPMDSA-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