General Information of the Compound
| Compound ID |
CP0481118
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| Compound Name |
US10112937, Example 231
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| Structure |
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| Formula |
C20H19Cl2N5O
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| Molecular Weight |
416.312
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| Canonical SMILES |
CC1N(CCc2c1nnn2-c1cc(C)cc(C)n1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C20H19Cl2N5O/c1-11-9-12(2)23-17(10-11)27-16-7-8-26(13(3)19(16)24-25-27)20(28)14-5-4-6-15(21)18(14)22/h4-6,9-10,13H,7-8H2,1-3H3
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| InChIKey |
DKMRXVCUOIHSIP-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