General Information of the Compound
| Compound ID |
CP0483248
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| Compound Name |
US10030025, Compound 27
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| Structure |
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| Formula |
C17H18N6O2S
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| Molecular Weight |
370.438
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| Canonical SMILES |
COc1cccc(c1)C(=O)N1CCn2c(nnc2-c2nc(C)ns2)[C@H]1C
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| InChI |
InChI=1S/C17H18N6O2S/c1-10-14-19-20-15(16-18-11(2)21-26-16)23(14)8-7-22(10)17(24)12-5-4-6-13(9-12)25-3/h4-6,9-10H,7-8H2,1-3H3/t10-/m1/s1
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| InChIKey |
YKIGSSIUJRGFEY-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