General Information of the Compound
| Compound ID |
CP0545814
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| Compound Name |
US9266876, 208
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| Structure |
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| Formula |
C29H32F3N7OS
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| Molecular Weight |
583.684
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1ccccc1N1CCN(C)CC1)c1sc(nc1-c1nc2ccccc2[nH]1)C(F)(F)F
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| InChI |
InChI=1S/C29H32F3N7OS/c1-19-18-38(27-25(35-28(41-27)29(30,31)32)26-33-21-8-4-5-9-22(21)34-26)15-16-39(19)24(40)17-20-7-3-6-10-23(20)37-13-11-36(2)12-14-37/h3-10,19H,11-18H2,1-2H3,(H,33,34)/t19-/m1/s1
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| InChIKey |
CUPQWUBNAFVRGV-LJQANCHMSA-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