General Information of the Compound
| Compound ID |
CP0564095
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| Compound Name |
US9266876, 185
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| Structure |
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| Formula |
C24H26F3N7O2S
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| Molecular Weight |
533.58
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| Canonical SMILES |
COCCn1c(nc2ccccc12)-c1nc(sc1N1CCN([C@H](C)C1)C(=O)Cn1cccn1)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N7O2S/c1-16-14-31(10-11-33(16)19(35)15-32-9-5-8-28-32)22-20(30-23(37-22)24(25,26)27)21-29-17-6-3-4-7-18(17)34(21)12-13-36-2/h3-9,16H,10-15H2,1-2H3/t16-/m1/s1
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| InChIKey |
RPARPLJOCSXQOF-MRXNPFEDSA-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