General Information of the Compound
| Compound ID |
CP0935173
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| Compound Name |
SID144191370
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| Formula |
C25H22F3N3O
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| Molecular Weight |
437.465
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| Canonical SMILES |
O=C(Nc1ccc(C(F)(F)F)cc1)N1C[C@@H]2N[C@H](C1)[C@@H]2c1ccc(-c2ccccc2)cc1
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| InChI |
InChI=1S/C25H22F3N3O/c26-25(27,28)19-10-12-20(13-11-19)29-24(32)31-14-21-23(22(15-31)30-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,21-23,30H,14-15H2,(H,29,32)/t21-,22+,23+
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| InChIKey |
CWJKMODFIBXVNV-JKHIJQBDSA-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