General Information of the Compound
| Compound ID |
CP0510299
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| Compound Name |
5-amino-1-[N-cyclopentyl-C-(4-ethylbenzoyl)carbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C19H21N5O
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| Molecular Weight |
335.411
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| Canonical SMILES |
CCc1ccc(cc1)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
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| InChI |
InChI=1S/C19H21N5O/c1-2-13-7-9-14(10-8-13)17(25)19(23-16-5-3-4-6-16)24-18(21)15(11-20)12-22-24/h7-10,12,16H,2-6,21H2,1H3/b23-19+
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| InChIKey |
QZLFCPUPCIYQPO-FCDQGJHFSA-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