General Information of the Compound
| Compound ID |
CP0182784
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| Compound Name |
2-[2-[[11-(2-aminoethylamino)-5,10-dioxonaphtho[2,3-f][1]benzothiol-4-yl]amino]ethyl]guanidine;hydrochloride
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| Structure |
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| Formula |
C21H23ClN6O2S
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| Molecular Weight |
458.975
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| Canonical SMILES |
Cl.NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
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| InChI |
InChI=1S/C21H22N6O2S.ClH/c22-6-7-25-17-15-14(18(28)11-3-1-2-4-12(11)19(15)29)16(13-5-10-30-20(13)17)26-8-9-27-21(23)24;/h1-5,10,25-26H,6-9,22H2,(H4,23,24,27);1H
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| InChIKey |
BEQIJPCKRVYXPO-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