General Information of the Compound
| Compound ID |
CP0474519
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| Compound Name |
US9193726, 3
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| Structure |
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| Formula |
C26H22F2N4O3
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| Molecular Weight |
476.483
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1cccc2cc(F)c(F)cc12
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| InChI |
InChI=1S/C26H22F2N4O3/c1-15-13-30(14-29-15)21-5-6-22-26(34)31(9-10-32(22)25(21)33)20-7-8-24(20)35-23-4-2-3-16-11-18(27)19(28)12-17(16)23/h2-6,11-14,20,24H,7-10H2,1H3/t20-,24-/m1/s1
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| InChIKey |
KJMUAFRVYAYNTQ-HYBUGGRVSA-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