General Information of the Compound
| Compound ID |
CP0447237
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| Compound Name |
1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
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| Synonyms |
A 804598
A-804598
A804598
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| Structure |
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| Formula |
C19H17N5
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| Molecular Weight |
315.38
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| Canonical SMILES |
C[C@H](NC(NC#N)=Nc1cccc2ncccc12)c1ccccc1
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| InChI |
InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
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| InChIKey |
PQYCRDPLPKGSME-AWEZNQCLSA-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: PT03475, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7
Clinical Information about the Compound