General Information of the Compound
| Compound ID |
CP0860487
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| Compound Name |
3-(4-Methoxyphenylsulfonyl)-N-(piperidin-4-yl)-1Hindazol-5-amine HCl
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| Structure |
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| Formula |
C19H23ClN4O3S
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| Molecular Weight |
422.938
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| Canonical SMILES |
COc1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1.Cl
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| InChI |
InChI=1S/C19H22N4O3S.ClH/c1-26-15-3-5-16(6-4-15)27(24,25)19-17-12-14(2-7-18(17)22-23-19)21-13-8-10-20-11-9-13;/h2-7,12-13,20-21H,8-11H2,1H3,(H,22,23);1H
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| InChIKey |
ZTSSDUCRYROMJT-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