General Information of the Compound
| Compound ID |
CP0561901
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| Compound Name |
US10112937, Example 60
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| Structure |
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| Formula |
C16H13Cl2N5O
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| Molecular Weight |
362.22
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| Canonical SMILES |
Clc1cccc(C(=O)N2CCc3c(C2)ncn3-c2ccn[nH]2)c1Cl
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| InChI |
InChI=1S/C16H13Cl2N5O/c17-11-3-1-2-10(15(11)18)16(24)22-7-5-13-12(8-22)19-9-23(13)14-4-6-20-21-14/h1-4,6,9H,5,7-8H2,(H,20,21)
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| InChIKey |
CXCOEVVCWFVERF-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