General Information of the Compound
| Compound ID |
CP0479078
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| Compound Name |
1-benzyl-5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfonyl)-1H-indazole
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| Structure |
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| Formula |
C29H28N4O2S
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| Molecular Weight |
496.636
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| Canonical SMILES |
CN1CCN(CC1)c1ccc2n(Cc3ccccc3)nc(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C29H28N4O2S/c1-31-16-18-32(19-17-31)24-14-15-27-26(20-24)29(30-33(27)21-22-8-3-2-4-9-22)36(34,35)28-13-7-11-23-10-5-6-12-25(23)28/h2-15,20H,16-19,21H2,1H3
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| InChIKey |
PHIUWTVCJVASIJ-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