General Information of the Compound
| Compound ID |
CP0443838
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| Compound Name |
US9120797, 32
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| Structure |
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| Formula |
C26H30FN3O
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| Molecular Weight |
419.544
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| Canonical SMILES |
CN(C)C1(CCC2(CC1)N(CCc1c2[nH]c2cc(F)ccc12)C(C)=O)c1ccccc1
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| InChI |
InChI=1S/C26H30FN3O/c1-18(31)30-16-11-22-21-10-9-20(27)17-23(21)28-24(22)26(30)14-12-25(13-15-26,29(2)3)19-7-5-4-6-8-19/h4-10,17,28H,11-16H2,1-3H3
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| InChIKey |
QBBRQQIXCSEDHE-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