General Information of the Compound
| Compound ID |
CP0495554
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| Compound Name |
US10030025, Compound 31
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| Structure |
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| Formula |
C16H12F4N6OS
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| Molecular Weight |
412.372
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| Canonical SMILES |
CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1cc(F)c(F)c(F)c1F
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| InChI |
InChI=1S/C16H12F4N6OS/c1-6-13-22-23-14(15-21-7(2)24-28-15)26(13)4-3-25(6)16(27)8-5-9(17)11(19)12(20)10(8)18/h5-6H,3-4H2,1-2H3
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| InChIKey |
OWGILKMONFDDTK-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
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor