General Information of the Compound
| Compound ID |
CP0772880
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| Compound Name |
2-{6-[(2-Naphthylsulfonyl)amino]-2,3-dihydro-1H-inden-1-ylidene}hydrazinecarboximidamide hydrochloride
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| Structure |
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| Formula |
C20H20ClN5O2S
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| Molecular Weight |
429.933
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| Canonical SMILES |
Cl.N=C(N)N/N=C1\CCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21
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| InChI |
InChI=1S/C20H19N5O2S.ClH/c21-20(22)24-23-19-10-7-14-5-8-16(12-18(14)19)25-28(26,27)17-9-6-13-3-1-2-4-15(13)11-17;/h1-6,8-9,11-12,25H,7,10H2,(H4,21,22,24);1H/b23-19+;
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| InChIKey |
PVPUJQDCJYADLU-IMPZXOFZSA-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