General Information of the Compound
| Compound ID |
CP0522517
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| Compound Name |
CHEMBL2012618
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| Formula |
C26H26FN3O3S
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| Molecular Weight |
479.577
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| Canonical SMILES |
OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(s1)C1(CC1)c1cccc(F)c1
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| InChI |
InChI=1S/C26H26FN3O3S/c27-21-3-1-2-20(15-21)26(12-13-26)24-29-30-25(34-24)28-23(33)19-10-8-18(9-11-19)17-6-4-16(5-7-17)14-22(31)32/h1-3,8-11,15-17H,4-7,12-14H2,(H,31,32)(H,28,30,33)/t16-,17-
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| InChIKey |
SMYBNXOIRKVTCA-QAQDUYKDSA-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