General Information of the Compound
| Compound ID |
CP0742584
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| Compound Name |
3-(Naphthalen-2-ylsulfonyl)-N-(piperidin-4-yl)-1H-indazol-5-amine 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)(c1ccc2ccccc2c1)c1n[nH]c2ccc(NC3CCNCC3)cc12
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| InChI |
InChI=1S/C22H22N4O2S.ClH/c27-29(28,19-7-5-15-3-1-2-4-16(15)13-19)22-20-14-18(6-8-21(20)25-26-22)24-17-9-11-23-12-10-17;/h1-8,13-14,17,23-24H,9-12H2,(H,25,26);1H
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| InChIKey |
CBOBTUDJCUNBQD-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