General Information of the Compound
| Compound ID |
CP0417432
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| Compound Name |
N-[1-[[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-2-naphthalen-1-ylacetamide
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| Structure |
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| Formula |
C28H28N6O
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| Molecular Weight |
464.573
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| Canonical SMILES |
CC(C)(C)C(NC(=O)Cc1cccc2ccccc12)N=C(NC#N)Nc1cccc2ncccc12
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| InChI |
InChI=1S/C28H28N6O/c1-28(2,3)26(33-25(35)17-20-11-6-10-19-9-4-5-12-21(19)20)34-27(31-18-29)32-24-15-7-14-23-22(24)13-8-16-30-23/h4-16,26H,17H2,1-3H3,(H,33,35)(H2,31,32,34)
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| InChIKey |
ABKUWZIGQAJFMF-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