General Information of the Compound
| Compound ID |
CP0451464
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| Compound Name |
US10112937, Example 233
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| Structure |
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| Formula |
C19H17Cl2N5O
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| Molecular Weight |
402.285
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| Canonical SMILES |
CC1N(CCc2c1nnn2-c1cccc(C)n1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C19H17Cl2N5O/c1-11-5-3-8-16(22-11)26-15-9-10-25(12(2)18(15)23-24-26)19(27)13-6-4-7-14(20)17(13)21/h3-8,12H,9-10H2,1-2H3
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| InChIKey |
VHSNSHISDWBRJP-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