General Information of the Compound
| Compound ID |
CP0445442
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]-4-phenylbutanamide
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| Structure |
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| Formula |
C24H31N5O
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| Molecular Weight |
405.546
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| Canonical SMILES |
Cc1ccccc1NC(NC#N)=NC(NC(=O)CCCc1ccccc1)C(C)(C)C
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| InChI |
InChI=1S/C24H31N5O/c1-18-11-8-9-15-20(18)27-23(26-17-25)29-22(24(2,3)4)28-21(30)16-10-14-19-12-6-5-7-13-19/h5-9,11-13,15,22H,10,14,16H2,1-4H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
XXPHSXHVTAUNJP-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