General Information of the Compound
| Compound ID |
CP0526117
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| Compound Name |
US10030025, Compound 21
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| Structure |
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| Formula |
C17H15F3N6OS
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| Molecular Weight |
408.409
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N6OS/c1-9-13-22-23-14(15-21-10(2)24-28-15)26(13)8-7-25(9)16(27)11-3-5-12(6-4-11)17(18,19)20/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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| InChIKey |
MJAOQGKUYGSDSK-SECBINFHSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor