General Information of the Compound
| Compound ID |
CP0441073
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| Compound Name |
US9212153, 14
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| Structure |
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| Formula |
C25H26ClFN2O2
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| Molecular Weight |
440.946
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22C=C(N)N(C)C2=O)-c2cc(F)cc(Cl)c2)CC1
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| InChI |
InChI=1S/C25H26ClFN2O2/c1-29-22(28)14-25(23(29)30)21-11-15(17-9-18(26)12-19(27)10-17)3-4-16(21)13-24(25)7-5-20(31-2)6-8-24/h3-4,9-12,14,20H,5-8,13,28H2,1-2H3
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| InChIKey |
OCHBPHCOGAPRRE-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