General Information of the Compound
| Compound ID |
CP0950958
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| Compound Name |
US8993765, 24
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| Structure |
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| Formula |
C21H16F3N5O
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| Molecular Weight |
411.387
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| Canonical SMILES |
O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccn2c3c(nc2c1)CCNC3
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| InChI |
InChI=1S/C21H16F3N5O/c22-21(23,24)18-2-1-14(11-26-18)13-4-7-28(20(30)9-13)15-5-8-29-17-12-25-6-3-16(17)27-19(29)10-15/h1-2,4-5,7-11,25H,3,6,12H2
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| InChIKey |
RDZAABKZNCIVMC-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