General Information of the Compound
| Compound ID |
CP0931212
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| Compound Name |
US9062048, 134
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| Structure |
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| Formula |
C24H31F3N6O3S
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| Molecular Weight |
540.612
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| Canonical SMILES |
O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(N3CCS(=O)(=O)CC3)CC2)C1
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| InChI |
InChI=1S/C24H31F3N6O3S/c25-24(26,27)16-1-6-21-20(11-16)23(30-15-29-21)28-12-22(34)31-17-13-33(14-17)19-4-2-18(3-5-19)32-7-9-37(35,36)10-8-32/h1,6,11,15,17-19H,2-5,7-10,12-14H2,(H,31,34)(H,28,29,30)
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| InChIKey |
UFFAGXRZBXPFQV-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