General Information of the Compound
| Compound ID |
CP0380496
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| Compound Name |
US10047092, 76
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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 |
CC[C@H]1Cn2c(nnc2-c2ccc(F)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C20H16ClF4N5O/c1-2-13-10-30-17(15-7-6-12(22)8-26-15)27-28-18(30)19(31)29(13)9-11-4-3-5-14(16(11)21)20(23,24)25/h3-8,13H,2,9-10H2,1H3/t13-/m0/s1
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| InChIKey |
JXZZAIAONARWCL-ZDUSSCGKSA-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