General Information of the Compound
| Compound ID |
CP0537880
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(quinolin-5-ylamino)methylidene]amino]-2,2-dimethylpropyl]-4-pyridin-3-ylbutanamide
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| Structure |
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| Formula |
C25H29N7O
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| Molecular Weight |
443.555
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| Canonical SMILES |
CC(C)(C)C(NC(=O)CCCc1cccnc1)N=C(NC#N)Nc1cccc2ncccc12
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| InChI |
InChI=1S/C25H29N7O/c1-25(2,3)23(31-22(33)13-4-8-18-9-6-14-27-16-18)32-24(29-17-26)30-21-12-5-11-20-19(21)10-7-15-28-20/h5-7,9-12,14-16,23H,4,8,13H2,1-3H3,(H,31,33)(H2,29,30,32)
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| InChIKey |
BHODILOWFZGFNQ-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7