General Information of the Compound
| Compound ID |
CP0404897
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| Compound Name |
US10030025, Compound 44
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| Structure |
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| Formula |
C17H14F4N6O2
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| Molecular Weight |
410.331
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1nc(CC(F)(F)F)no1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H14F4N6O2/c1-9-13-23-24-14(15-22-12(25-29-15)8-17(19,20)21)27(13)7-6-26(9)16(28)10-2-4-11(18)5-3-10/h2-5,9H,6-8H2,1H3/t9-/m1/s1
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| InChIKey |
BGZYIPYUGYCEIV-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: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor