General Information of the Compound
| Compound ID |
CP0407608
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| Compound Name |
US10053462, 40
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| Structure |
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| Formula |
C21H15ClF4N4O
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| Molecular Weight |
450.823
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| Canonical SMILES |
Fc1ccc(cc1)-c1nnc2[C@H]3CC[C@@H](Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C21H15ClF4N4O/c22-17-14(2-1-3-15(17)21(24,25)26)20(31)30-13-8-9-16(30)19-28-27-18(29(19)10-13)11-4-6-12(23)7-5-11/h1-7,13,16H,8-10H2/t13-,16+/m0/s1
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| InChIKey |
JLCZWQQYVOECLS-XJKSGUPXSA-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