General Information of the Compound
| Compound ID |
CP0904284
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| Compound Name |
US9096596, 96
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| Structure |
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| Formula |
C19H18ClN5O
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| Molecular Weight |
367.84
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| Canonical SMILES |
Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(Cl)cc1)C2
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| InChI |
InChI=1S/C19H18ClN5O/c1-11-9-15-17(22-12(2)23-18(15)16-7-8-21-24-16)10-25(11)19(26)13-3-5-14(20)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,21,24)
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| InChIKey |
RWMCDPJSTPDLDR-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