General Information of the Compound
| Compound ID |
CP0464890
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| Compound Name |
US9216968, 137
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| Structure |
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| Formula |
C25H21ClF3N5O3
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| Molecular Weight |
531.922
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(NCCO)nc12
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| InChI |
InChI=1S/C25H21ClF3N5O3/c1-13-18(26)7-4-8-19(13)32-23(37)16-11-14(12-20-21(16)34-24(33-20)30-9-10-35)31-22(36)15-5-2-3-6-17(15)25(27,28)29/h2-8,11-12,35H,9-10H2,1H3,(H,31,36)(H,32,37)(H2,30,33,34)
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| InChIKey |
STIQDYMPRFLWGC-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