General Information of the Compound
| Compound ID |
CP0399818
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-[(2-methylpyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-4-(4-methoxyphenyl)butanamide
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| Structure |
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| Formula |
C24H32N6O2
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| Molecular Weight |
436.56
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| Canonical SMILES |
COc1ccc(CCCC(=O)NC(N=C(NC#N)Nc2cccnc2C)C(C)(C)C)cc1
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| InChI |
InChI=1S/C24H32N6O2/c1-17-20(9-7-15-26-17)28-23(27-16-25)30-22(24(2,3)4)29-21(31)10-6-8-18-11-13-19(32-5)14-12-18/h7,9,11-15,22H,6,8,10H2,1-5H3,(H,29,31)(H2,27,28,30)
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| InChIKey |
TUVRBDROWOZYTA-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