General Information of the Compound
| Compound ID |
CP0486562
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| Compound Name |
US10047103, 180
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| Structure |
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| Formula |
C29H23FN6O4S2
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| Molecular Weight |
602.673
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| Canonical SMILES |
CCN(CCC#N)C(=O)c1ccc(cc1)-c1nc(COc2cc(F)cc3oc(cc23)-c2cn3nc(OC)sc3n2)cs1
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| InChI |
InChI=1S/C29H23FN6O4S2/c1-3-35(10-4-9-31)27(37)18-7-5-17(6-8-18)26-32-20(16-41-26)15-39-23-11-19(30)12-24-21(23)13-25(40-24)22-14-36-28(33-22)42-29(34-36)38-2/h5-8,11-14,16H,3-4,10,15H2,1-2H3
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| InChIKey |
POMDUOSOHRCLGK-UHFFFAOYSA-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