General Information of the Compound
| Compound ID |
CP0942506
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| Compound Name |
SID131447112
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| Structure |
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| Formula |
C26H19F2N3O2
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| Molecular Weight |
443.453
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| Canonical SMILES |
N#C[C@H]1[C@@H](c2ccc(C#Cc3ccc(F)cc3)cc2)[C@H](CO)N1C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C26H19F2N3O2/c27-20-9-5-18(6-10-20)2-1-17-3-7-19(8-4-17)25-23(15-29)31(24(25)16-32)26(33)30-22-13-11-21(28)12-14-22/h3-14,23-25,32H,16H2,(H,30,33)/t23-,24-,25+/m0/s1
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| InChIKey |
RIMLVFYSAWNNSE-CCDWMCETSA-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