General Information of the Compound
| Compound ID |
CP0545300
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| Compound Name |
US11136312, Compound MM-I-83
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| Structure |
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| Formula |
C24H22BrFN6
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| Molecular Weight |
493.384
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| Canonical SMILES |
Fc1ccc2c(Cc3nnc(Cc4cccc(Br)c4)n3CCCc3c[nH]cn3)c[nH]c2c1
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| InChI |
InChI=1S/C24H22BrFN6/c25-18-4-1-3-16(9-18)10-23-30-31-24(32(23)8-2-5-20-14-27-15-29-20)11-17-13-28-22-12-19(26)6-7-21(17)22/h1,3-4,6-7,9,12-15,28H,2,5,8,10-11H2,(H,27,29)
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| InChIKey |
RDBYFPGWORQRTN-UHFFFAOYSA-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