General Information of the Compound
| Compound ID |
CP0553563
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| Compound Name |
5-amino-1-[C-(2,4-dimethoxybenzoyl)-N-propan-2-ylcarbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C17H19N5O3
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| Molecular Weight |
341.371
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| Canonical SMILES |
COc1ccc(C(=O)C(=N/C(C)C)\n2ncc(C#N)c2N)c(OC)c1
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| InChI |
InChI=1S/C17H19N5O3/c1-10(2)21-17(22-16(19)11(8-18)9-20-22)15(23)13-6-5-12(24-3)7-14(13)25-4/h5-7,9-10H,19H2,1-4H3/b21-17+
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| InChIKey |
JRJTWAIBAVOKAP-HEHNFIMWSA-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