General Information of the Compound
| Compound ID |
CP0494484
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| Compound Name |
3-[(E)-2-phenylethenyl]-N-(pyridin-2-ylmethyl)-6-pyrrolidin-1-yl-1H-indazol-5-amine
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| Structure |
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| Formula |
C25H25N5
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| Molecular Weight |
395.51
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| Canonical SMILES |
C(Nc1cc2c(\C=C\c3ccccc3)n[nH]c2cc1N1CCCC1)c1ccccn1
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| InChI |
InChI=1S/C25H25N5/c1-2-8-19(9-3-1)11-12-22-21-16-24(27-18-20-10-4-5-13-26-20)25(17-23(21)29-28-22)30-14-6-7-15-30/h1-5,8-13,16-17,27H,6-7,14-15,18H2,(H,28,29)/b12-11+
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| InChIKey |
AIQJXTOEZSDXHV-VAWYXSNFSA-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