General Information of the Compound
| Compound ID |
CP0386510
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| Compound Name |
US10030025, Compound 35
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| Structure |
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| Formula |
C16H14ClFN6OS
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| Molecular Weight |
392.847
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| Canonical SMILES |
CC1N(CCn2c1nnc2-c1nc(C)ns1)C(=O)c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C16H14ClFN6OS/c1-8-13-20-21-14(15-19-9(2)22-26-15)24(13)6-5-23(8)16(25)10-3-4-12(18)11(17)7-10/h3-4,7-8H,5-6H2,1-2H3
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| InChIKey |
DMCGPNZWXATPEH-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