General Information of the Compound
| Compound ID |
CP0403398
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| Compound Name |
US10323032, Example 33
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| Structure |
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| Formula |
C19H15ClF3N5O
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| Molecular Weight |
421.81
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| Canonical SMILES |
Cc1nc2CN(CCc2c(n1)-c1ccn[nH]1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C19H15ClF3N5O/c1-10-25-15-9-28(8-6-11(15)17(26-10)14-5-7-24-27-14)18(29)12-3-2-4-13(16(12)20)19(21,22)23/h2-5,7H,6,8-9H2,1H3,(H,24,27)
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| InChIKey |
QWPHGWGZUGHEEZ-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7