General Information of the Compound
| Compound ID |
CP0960333
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| Compound Name |
US9464084, 133
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| Structure |
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| Formula |
C17H14ClF3N6O
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| Molecular Weight |
410.787
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| Canonical SMILES |
C[C@@H]1c2nnn(-c3cc[nH]n3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C17H14ClF3N6O/c1-9-15-12(27(25-24-15)13-5-7-22-23-13)6-8-26(9)16(28)10-3-2-4-11(14(10)18)17(19,20)21/h2-5,7,9H,6,8H2,1H3,(H,22,23)/t9-/m1/s1
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| InChIKey |
LFBDZVSZSDYETC-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7