General Information of the Compound
| Compound ID |
CP0899169
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| Compound Name |
3-(Naphthalen-1-ylsulfonyl)-N-(piperidin-4-ylmethyl)-1Hindazol-5-amine HCl
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| Structure |
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| Formula |
C23H25ClN4O2S
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| Molecular Weight |
456.999
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| Canonical SMILES |
Cl.O=S(=O)(c1cccc2ccccc12)c1n[nH]c2ccc(NCC3CCNCC3)cc12
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| InChI |
InChI=1S/C23H24N4O2S.ClH/c28-30(29,22-7-3-5-17-4-1-2-6-19(17)22)23-20-14-18(8-9-21(20)26-27-23)25-15-16-10-12-24-13-11-16;/h1-9,14,16,24-25H,10-13,15H2,(H,26,27);1H
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| InChIKey |
AHEKFKPECXDSIS-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