General Information of the Compound
| Compound ID |
CP0404974
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| Compound Name |
US10030025, Compound 2
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| Structure |
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| Formula |
C17H17FN6OS
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| Molecular Weight |
372.429
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| Canonical SMILES |
CCc1nsc(n1)-c1nnc2[C@@H](C)N(CCn12)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H17FN6OS/c1-3-13-19-16(26-22-13)15-21-20-14-10(2)23(8-9-24(14)15)17(25)11-4-6-12(18)7-5-11/h4-7,10H,3,8-9H2,1-2H3/t10-/m1/s1
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| InChIKey |
UOMUYZXEONWAOD-SNVBAGLBSA-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