General Information of the Compound
| Compound ID |
CP0913936
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| Compound Name |
US9096596, 63
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| Structure |
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| Formula |
C19H16ClF3N6O
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| Molecular Weight |
436.825
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| Canonical SMILES |
CC1Cc2c(nc(N)nc2-c2ccn[nH]2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl
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| InChI |
InChI=1S/C19H16ClF3N6O/c1-9-7-11-14(26-18(24)27-16(11)13-5-6-25-28-13)8-29(9)17(30)10-3-2-4-12(15(10)20)19(21,22)23/h2-6,9H,7-8H2,1H3,(H,25,28)(H2,24,26,27)
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| InChIKey |
FMMOCQICRNBZOB-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7