General Information of the Compound
| Compound ID |
CP0504238
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| Compound Name |
6-(4-methylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-3-styryl-1H-indazol-5-amine
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| Structure |
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| Formula |
C26H28N6
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| Molecular Weight |
424.552
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| Canonical SMILES |
CN1CCN(CC1)c1cc2[nH]nc(\C=C\c3ccccc3)c2cc1NCc1ccccn1
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| InChI |
InChI=1S/C26H28N6/c1-31-13-15-32(16-14-31)26-18-24-22(17-25(26)28-19-21-9-5-6-12-27-21)23(29-30-24)11-10-20-7-3-2-4-8-20/h2-12,17-18,28H,13-16,19H2,1H3,(H,29,30)/b11-10+
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| InChIKey |
RWWHTDBBMWURNC-ZHACJKMWSA-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT01223, Aurora kinase B