General Information of the Compound
| Compound ID |
CP0944043
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| Compound Name |
SID144190512
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| Formula |
C21H21FN4O2S
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| Molecular Weight |
412.49
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| Canonical SMILES |
Cn1cnc(S(=O)(=O)N2C[C@@H]3N[C@H](C2)[C@@H]3c2ccc(-c3ccccc3F)cc2)c1
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| InChI |
InChI=1S/C21H21FN4O2S/c1-25-12-20(23-13-25)29(27,28)26-10-18-21(19(11-26)24-18)15-8-6-14(7-9-15)16-4-2-3-5-17(16)22/h2-9,12-13,18-19,21,24H,10-11H2,1H3/t18-,19+,21+
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| InChIKey |
GMNZGGJWOJJWDN-KXTWHKPSSA-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