General Information of the Compound
| Compound ID |
CP0411350
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| Compound Name |
US10053462, 21
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| Structure |
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| Formula |
C19H15Cl2FN6O
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| Molecular Weight |
433.274
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| Canonical SMILES |
Fc1cnc(nc1)-c1nnc2[C@@H]3CCC[C@H](Cn12)N3C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C19H15Cl2FN6O/c20-10-4-5-13(14(21)6-10)19(29)28-12-2-1-3-15(28)17-25-26-18(27(17)9-12)16-23-7-11(22)8-24-16/h4-8,12,15H,1-3,9H2/t12-,15+/m1/s1
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| InChIKey |
OFEDUVRGSIXSPB-DOMZBBRYSA-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