General Information of the Compound
| Compound ID |
CP0483362
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| Compound Name |
US9422293, 370
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| Structure |
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| Formula |
C33H35F3N6S
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| Molecular Weight |
604.746
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| Canonical SMILES |
CN1CCC(C)(C)c2ccc(Nc3nc(SCc4ccccc4)nc4CCN(CCc34)c3ncccc3C(F)(F)F)cc12
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| InChI |
InChI=1S/C33H35F3N6S/c1-32(2)15-19-41(3)28-20-23(11-12-25(28)32)38-29-24-13-17-42(30-26(33(34,35)36)10-7-16-37-30)18-14-27(24)39-31(40-29)43-21-22-8-5-4-6-9-22/h4-12,16,20H,13-15,17-19,21H2,1-3H3,(H,38,39,40)
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| InChIKey |
PVKXBXRWHJNNNG-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