General Information of the Compound
| Compound ID |
CP0896500
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| Compound Name |
US9096596, 64
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| Structure |
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| Formula |
C20H16ClF4N5O
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| Molecular Weight |
453.827
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| Canonical SMILES |
Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(F)c(C(F)(F)F)c1Cl)C2
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| InChI |
InChI=1S/C20H16ClF4N5O/c1-9-7-12-15(27-10(2)28-18(12)14-5-6-26-29-14)8-30(9)19(31)11-3-4-13(22)16(17(11)21)20(23,24)25/h3-6,9H,7-8H2,1-2H3,(H,26,29)
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| InChIKey |
CZKWYOUDWZFCQV-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