General Information of the Compound
| Compound ID |
CP0562936
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| Compound Name |
CHEMBL4442686
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| Formula |
C24H32FN3O4
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| Molecular Weight |
445.535
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| Canonical SMILES |
CC(O[C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1nc(no1)-c1ccc(C(=O)N(C)C)c(F)c1
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| InChI |
InChI=1S/C24H32FN3O4/c1-15(31-17-8-10-24(11-9-17)13-23(2,3)30-14-24)21-26-20(27-32-21)16-6-7-18(19(25)12-16)22(29)28(4)5/h6-7,12,15,17H,8-11,13-14H2,1-5H3/t15?,17-,24+
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| InChIKey |
HEDJRGYUALVMSH-NJYDWJIMSA-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