General Information of the Compound
| Compound ID |
CP0959348
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| Compound Name |
US8993765, 23
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| Structure |
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| Formula |
C21H18FN5O2
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| Molecular Weight |
391.406
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| Canonical SMILES |
O=c1cc(OCc2ccc(F)cn2)ccn1-c1ccn2c3c(nc2c1)CCNC3
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| InChI |
InChI=1S/C21H18FN5O2/c22-14-1-2-15(24-11-14)13-29-17-5-8-26(21(28)10-17)16-4-7-27-19-12-23-6-3-18(19)25-20(27)9-16/h1-2,4-5,7-11,23H,3,6,12-13H2
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| InChIKey |
ARYZDECKMUTOBD-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