General Information of the Compound
| Compound ID |
CP0406856
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| Compound Name |
US10150765, Example 179
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| Structure |
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| Formula |
C19H18Cl2N6O
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| Molecular Weight |
417.3
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| Canonical SMILES |
CC1N(CCc2c1nnn2-c1nc(C)cc(C)n1)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C19H18Cl2N6O/c1-10-9-11(2)23-19(22-10)27-15-7-8-26(12(3)17(15)24-25-27)18(28)13-5-4-6-14(20)16(13)21/h4-6,9,12H,7-8H2,1-3H3
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| InChIKey |
BXJQCWDMDYALGW-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