General Information of the Compound
| Compound ID |
CP0953540
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| Compound Name |
US9096596, 131
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| Structure |
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| Formula |
C21H23N5O
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| Molecular Weight |
361.449
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| Canonical SMILES |
Cc1ccc(C(=O)N2Cc3nc(C)nc(-c4ccn[nH]4)c3CC2C)c(C)c1
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| InChI |
InChI=1S/C21H23N5O/c1-12-5-6-16(13(2)9-12)21(27)26-11-19-17(10-14(26)3)20(24-15(4)23-19)18-7-8-22-25-18/h5-9,14H,10-11H2,1-4H3,(H,22,25)
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| InChIKey |
FNRXIXDIMHIGNB-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7