General Information of the Compound
| Compound ID |
CP0703997
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| Compound Name |
3-Amino-N-[3-(naphthalen-1-sulfonyl)-1H-indazol-5-yl]-propionamide HCl
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| Structure |
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| Formula |
C20H19ClN4O3S
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| Molecular Weight |
430.917
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| Canonical SMILES |
Cl.NCCC(=O)Nc1ccc2[nH]nc(S(=O)(=O)c3cccc4ccccc34)c2c1
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| InChI |
InChI=1S/C20H18N4O3S.ClH/c21-11-10-19(25)22-14-8-9-17-16(12-14)20(24-23-17)28(26,27)18-7-3-5-13-4-1-2-6-15(13)18;/h1-9,12H,10-11,21H2,(H,22,25)(H,23,24);1H
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| InChIKey |
GIKJUHPCTLLYFZ-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