General Information of the Compound
| Compound ID |
CP0487523
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| Compound Name |
5-amino-1-[N-cyclopentyl-C-(2,4-dimethoxybenzoyl)carbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
COc1ccc(C(=O)C(=N/C2CCCC2)\n2ncc(C#N)c2N)c(OC)c1
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| InChI |
InChI=1S/C19H21N5O3/c1-26-14-7-8-15(16(9-14)27-2)17(25)19(23-13-5-3-4-6-13)24-18(21)12(10-20)11-22-24/h7-9,11,13H,3-6,21H2,1-2H3/b23-19+
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| InChIKey |
XVOGPAPNMWKGRQ-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