General Information of the Compound
| Compound ID |
CP0558828
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| Compound Name |
5-(2-phenylethyl)-3-(6-piperazin-1-ylpyridin-3-yl)-1H-indazole
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| Structure |
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| Formula |
C24H25N5
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| Molecular Weight |
383.499
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| Canonical SMILES |
C(Cc1ccc2[nH]nc(-c3ccc(nc3)N3CCNCC3)c2c1)c1ccccc1
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| InChI |
InChI=1S/C24H25N5/c1-2-4-18(5-3-1)6-7-19-8-10-22-21(16-19)24(28-27-22)20-9-11-23(26-17-20)29-14-12-25-13-15-29/h1-5,8-11,16-17,25H,6-7,12-15H2,(H,27,28)
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| InChIKey |
MPLREUAIPISHOE-UHFFFAOYSA-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