General Information of the Compound
| Compound ID |
CP0526398
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| Compound Name |
US9012651, 154
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| Structure |
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| Formula |
C21H20F3N3O2
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| Molecular Weight |
403.404
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| Canonical SMILES |
OC[C@@H](NCc1ccnc(n1)-c1ccc(cc1)C(F)(F)F)[C@H](O)c1ccccc1
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| InChI |
InChI=1S/C21H20F3N3O2/c22-21(23,24)16-8-6-15(7-9-16)20-25-11-10-17(27-20)12-26-18(13-28)19(29)14-4-2-1-3-5-14/h1-11,18-19,26,28-29H,12-13H2/t18-,19-/m1/s1
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| InChIKey |
VRORGYFXTLFXSL-RTBURBONSA-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