General Information of the Compound
| Compound ID |
CP0401774
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| Compound Name |
US10028961, Compound 299
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| Formula |
C29H25F5N6
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| Molecular Weight |
552.551
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| Canonical SMILES |
Fc1ccc(cc1)[C@H]1C[C@@H](C1)Nc1nc(N[C@H]2C[C@@H](C2)c2ccc(F)cc2)nc(n1)-c1cccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C29H25F5N6/c30-20-8-4-16(5-9-20)18-12-22(13-18)35-27-38-26(24-2-1-3-25(37-24)29(32,33)34)39-28(40-27)36-23-14-19(15-23)17-6-10-21(31)11-7-17/h1-11,18-19,22-23H,12-15H2,(H2,35,36,38,39,40)/t18-,19-,22-,23-
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| InChIKey |
NMLSZZYWTRQLTB-YKFMMLSNSA-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