General Information of the Compound
| Compound ID |
CP0926474
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| Compound Name |
US9464084, 319
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| Structure |
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| Formula |
C18H16ClF3N6O
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| Molecular Weight |
424.814
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| Canonical SMILES |
C[C@H]1Cc2c(nnn2-c2ccn[nH]2)[C@H](C)N1C(=O)c1cccc(C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C18H16ClF3N6O/c1-9-8-13-16(25-26-28(13)14-6-7-23-24-14)10(2)27(9)17(29)11-4-3-5-12(15(11)19)18(20,21)22/h3-7,9-10H,8H2,1-2H3,(H,23,24)/t9-,10-/m0/s1
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| InChIKey |
IQRKGPSJDGZJEV-UWVGGRQHSA-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7