General Information of the Compound
| Compound ID |
CP0508666
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| Compound Name |
5-amino-1-[N-cyclopentyl-C-(3-methoxynaphthalene-2-carbonyl)carbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C22H21N5O2
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| Molecular Weight |
387.443
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| Canonical SMILES |
COc1cc2ccccc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
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| InChI |
InChI=1S/C22H21N5O2/c1-29-19-11-15-7-3-2-6-14(15)10-18(19)20(28)22(26-17-8-4-5-9-17)27-21(24)16(12-23)13-25-27/h2-3,6-7,10-11,13,17H,4-5,8-9,24H2,1H3/b26-22+
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| InChIKey |
ZZCDYTWZLMGMNU-XTCLZLMSSA-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