General Information of the Compound
| Compound ID |
CP0460705
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| Compound Name |
1-(2,3-dichlorophenyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
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| Structure |
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| Formula |
C16H13Cl2N5
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| Molecular Weight |
346.221
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| Canonical SMILES |
Clc1cccc(c1Cl)-n1nnnc1N[C@@H]1CCc2ccccc12
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| InChI |
InChI=1S/C16H13Cl2N5/c17-12-6-3-7-14(15(12)18)23-16(20-21-22-23)19-13-9-8-10-4-1-2-5-11(10)13/h1-7,13H,8-9H2,(H,19,20,22)/t13-/m1/s1
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| InChIKey |
KOYDWMDBDUGTDQ-CYBMUJFWSA-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