General Information of the Compound
| Compound ID |
CP0563435
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| Compound Name |
US9266876, 183
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| Structure |
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| Formula |
C27H31F3N8O2S
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| Molecular Weight |
588.66
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| Canonical SMILES |
COC1CCN(Cc2ccc3nc([nH]c3c2)-c2nc(sc2N2CCN([C@H](C)C2)C(=O)Cn2cccn2)C(F)(F)F)C1
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| InChI |
InChI=1S/C27H31F3N8O2S/c1-17-13-36(10-11-38(17)22(39)16-37-8-3-7-31-37)25-23(34-26(41-25)27(28,29)30)24-32-20-5-4-18(12-21(20)33-24)14-35-9-6-19(15-35)40-2/h3-5,7-8,12,17,19H,6,9-11,13-16H2,1-2H3,(H,32,33)/t17-,19?/m1/s1
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| InChIKey |
GJITUFZVNVJAAL-DUSLRRAJSA-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