General Information of the Compound
| Compound ID |
CP0463420
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| Compound Name |
5-amino-1-[N-cyclopentyl-C-(6-methoxy-2,3-dihydro-1H-indene-5-carbonyl)carbonimidoyl]pyrazole-4-carbonitrile
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
COc1cc2CCCc2cc1C(=O)C(=N/C1CCCC1)\n1ncc(C#N)c1N
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| InChI |
InChI=1S/C21H23N5O2/c1-28-18-10-14-6-4-5-13(14)9-17(18)19(27)21(25-16-7-2-3-8-16)26-20(23)15(11-22)12-24-26/h9-10,12,16H,2-8,23H2,1H3/b25-21+
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| InChIKey |
ISNGFUHHSXWVMK-NJNXFGOHSA-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