General Information of the Compound
| Compound ID |
CP0839170
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| Compound Name |
2-(6-{[(4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-yl)sulfonyl]amino}-2,3-dihydro-1H-inden-1-ylidene)hydrazinecarboximidamide hydrochloride
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| Structure |
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| Formula |
C19H23ClN6O3S
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| Molecular Weight |
450.952
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| Canonical SMILES |
CN1CCOc2ccc(S(=O)(=O)Nc3ccc4c(c3)/C(=N/NC(=N)N)CC4)cc21.Cl
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| InChI |
InChI=1S/C19H22N6O3S.ClH/c1-25-8-9-28-18-7-5-14(11-17(18)25)29(26,27)24-13-4-2-12-3-6-16(15(12)10-13)22-23-19(20)21;/h2,4-5,7,10-11,24H,3,6,8-9H2,1H3,(H4,20,21,23);1H/b22-16+;
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| InChIKey |
LGGLSNCFUCVRQM-YHLMHSEJSA-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