General Information of the Compound
| Compound ID |
CP0510300
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| Compound Name |
5-amino-1-[N-cyclopentyl-C-(2,4,5-trimethoxybenzoyl)carbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C20H23N5O4
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| Molecular Weight |
397.435
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| Canonical SMILES |
COc1cc(OC)c(cc1OC)C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
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| InChI |
InChI=1S/C20H23N5O4/c1-27-15-9-17(29-3)16(28-2)8-14(15)18(26)20(24-13-6-4-5-7-13)25-19(22)12(10-21)11-23-25/h8-9,11,13H,4-7,22H2,1-3H3/b24-20+
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| InChIKey |
ZBLIRQBFZAKAQO-HIXSDJFHSA-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