General Information of the Compound
| Compound ID |
CP0436119
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| Compound Name |
US9212153, 11
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| Structure |
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| Formula |
C26H27F3N2O3
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| Molecular Weight |
472.507
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22C=C(N)N(C)C2=O)-c2cccc(OC(F)(F)F)c2)CC1
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| InChI |
InChI=1S/C26H27F3N2O3/c1-31-22(30)15-25(23(31)32)21-13-17(16-4-3-5-20(12-16)34-26(27,28)29)6-7-18(21)14-24(25)10-8-19(33-2)9-11-24/h3-7,12-13,15,19H,8-11,14,30H2,1-2H3
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| InChIKey |
NVUQPZCQVJZOJR-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