General Information of the Compound
| Compound ID |
CP0567650
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| Compound Name |
US10300060, Example 21-51
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| Structure |
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| Formula |
C30H25F3N10O2
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| Molecular Weight |
614.592
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| Canonical SMILES |
CN(C)c1ccn2ncc(-c3ccc(Oc4ncc(NC(=O)Nc5cc(ccc5-c5ccnn5C)C(F)(F)F)cn4)cc3)c2n1
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| InChI |
InChI=1S/C30H25F3N10O2/c1-41(2)26-11-13-43-27(40-26)23(17-37-43)18-4-7-21(8-5-18)45-29-34-15-20(16-35-29)38-28(44)39-24-14-19(30(31,32)33)6-9-22(24)25-10-12-36-42(25)3/h4-17H,1-3H3,(H2,38,39,44)
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| InChIKey |
LNFIETYHIQQVEV-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