General Information of the Compound
| Compound ID |
CP0494889
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| Compound Name |
US9346786, 37
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| Structure |
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| Formula |
C31H34F2N4O5S
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| Molecular Weight |
612.699
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(F)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)S(C)(=O)=O)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H34F2N4O5S/c1-3-37(31(39)42-25-10-8-24(33)9-11-25)28-20-36(19-27(28)21-4-6-23(32)7-5-21)30(38)22-14-16-35(17-15-22)29-13-12-26(18-34-29)43(2,40)41/h4-13,18,22,27-28H,3,14-17,19-20H2,1-2H3/t27-,28+/m0/s1
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| InChIKey |
GPXMUBWIMLDBTL-WUFINQPMSA-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