General Information of the Compound
| Compound ID |
CP0492915
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| Compound Name |
US9428500, 39
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| Structure |
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| Formula |
C31H25F3N4
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| Molecular Weight |
510.563
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#Cc4ccccc4C(F)(F)F)c3c2c1
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| InChI |
InChI=1S/C31H25F3N4/c1-37-16-18-38(19-17-37)25-11-8-21(9-12-25)24-10-13-28-26(20-24)29-23(14-15-35-30(29)36-28)7-6-22-4-2-3-5-27(22)31(32,33)34/h2-5,8-15,20H,16-19H2,1H3,(H,35,36)
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| InChIKey |
XQZCNQRRJBJKBL-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