General Information of the Compound
| Compound ID |
CP0445474
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| Compound Name |
US10022352, Compound 308
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| Structure |
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| Formula |
C30H35F3N2O8
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| Molecular Weight |
608.61
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| Canonical SMILES |
CC(C)(CCOC[C@@H](O)CO)c1cc2cc(NC(=O)C3(CC3)c3ccc4OC(F)(F)Oc4c3)c(F)cc2n1C[C@@H](O)CO
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| InChI |
InChI=1S/C30H35F3N2O8/c1-28(2,7-8-41-16-20(39)15-37)26-10-17-9-22(21(31)12-23(17)35(26)13-19(38)14-36)34-27(40)29(5-6-29)18-3-4-24-25(11-18)43-30(32,33)42-24/h3-4,9-12,19-20,36-39H,5-8,13-16H2,1-2H3,(H,34,40)/t19-,20+/m1/s1
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| InChIKey |
AVCNGKYYEKQPQT-UXHICEINSA-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