General Information of the Compound
| Compound ID |
CP0862726
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| Compound Name |
3-(Naphthalen-1-ylsulfonyl)-5-(piperazin-1-ylmethyl)-1Hindazole HCl
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| Structure |
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| Formula |
C22H23ClN4O2S
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| Molecular Weight |
442.972
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| Canonical SMILES |
Cl.O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(CN3CCNCC3)cc12
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| InChI |
InChI=1S/C22H22N4O2S.ClH/c27-29(28,21-7-3-5-17-4-1-2-6-18(17)21)22-19-14-16(8-9-20(19)24-25-22)15-26-12-10-23-11-13-26;/h1-9,14,23H,10-13,15H2,(H,24,25);1H
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| InChIKey |
TWRVIRMFZIJOOW-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