General Information of the Compound
| Compound ID |
CP0928567
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| Compound Name |
US9464084, 268
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| Structure |
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| Formula |
C17H15Cl2N5O
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| Molecular Weight |
376.247
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| Canonical SMILES |
CC1Cc2c(-c3ccn[nH]3)n[nH]c2CN1C(=O)c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C17H15Cl2N5O/c1-9-6-12-15(22-23-16(12)14-4-5-20-21-14)8-24(9)17(25)11-3-2-10(18)7-13(11)19/h2-5,7,9H,6,8H2,1H3,(H,20,21)(H,22,23)
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| InChIKey |
FUAHXPOLIQFMHJ-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