General Information of the Compound
| Compound ID |
CP0703996
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| Compound Name |
3-(4-Isopropylphenylsulfonyl)-N-(piperidin-4-yl)-1Hindazol-5-amine HCl
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| Structure |
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| Formula |
C21H27ClN4O2S
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| Molecular Weight |
434.993
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| Canonical SMILES |
CC(C)c1ccc(S(=O)(=O)c2n[nH]c3ccc(NC4CCNCC4)cc23)cc1.Cl
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| InChI |
InChI=1S/C21H26N4O2S.ClH/c1-14(2)15-3-6-18(7-4-15)28(26,27)21-19-13-17(5-8-20(19)24-25-21)23-16-9-11-22-12-10-16;/h3-8,13-14,16,22-23H,9-12H2,1-2H3,(H,24,25);1H
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| InChIKey |
NFXNBSVLZRHYSN-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