General Information of the Compound
| Compound ID |
CP0033552
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| Compound Name |
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C23H23N5O
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| Molecular Weight |
385.471
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2n[nH]c3ccc(cc23)C(=O)N2CCCC2)cc1
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| InChI |
InChI=1S/C23H23N5O/c1-27-15-19(14-24-27)17-6-4-16(5-7-17)12-22-20-13-18(8-9-21(20)25-26-22)23(29)28-10-2-3-11-28/h4-9,13-15H,2-3,10-12H2,1H3,(H,25,26)
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| InChIKey |
HAMWSFRMPKMULI-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