General Information of the Compound
| Compound ID |
CP0945246
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| Compound Name |
US9278960, 4-97
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| Structure |
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| Formula |
C20H20F3N5O2
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| Molecular Weight |
419.407
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc3c(-c4cn[nH]c4)cc(C(N)=O)nc3c2)C[C@H](C(F)(F)F)O1
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| InChI |
InChI=1S/C20H20F3N5O2/c1-11-8-28(10-18(30-11)20(21,22)23)9-12-2-3-14-15(13-6-25-26-7-13)5-17(19(24)29)27-16(14)4-12/h2-7,11,18H,8-10H2,1H3,(H2,24,29)(H,25,26)/t11-,18-/m1/s1
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| InChIKey |
KSNGKFZHOBHQPZ-ADLMAVQZSA-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