General Information of the Compound
| Compound ID |
CP0477226
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| Compound Name |
CHEMBL4128619
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| Formula |
C21H26F3N5O
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| Molecular Weight |
421.467
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| Canonical SMILES |
CC(C)Cn1nc(cc1[C@@H]1[C@H]2CN(C[C@@H]12)C1COC1)-c1cnc(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H26F3N5O/c1-11(2)6-29-18(19-14-7-28(8-15(14)19)13-9-30-10-13)4-17(27-29)12-3-16(21(22,23)24)20(25)26-5-12/h3-5,11,13-15,19H,6-10H2,1-2H3,(H2,25,26)/t14-,15+,19+
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| InChIKey |
GHENMVXWYJFPQY-QWHZDKJVSA-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