General Information of the Compound
| Compound ID |
CP0326126
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| Compound Name |
2-[2-[(4-amino-5,10-dioxonaphtho[2,3-f][1]benzothiol-11-yl)amino]ethyl]guanidine;hydrochloride
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| Structure |
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| Formula |
C19H18ClN5O2S
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| Molecular Weight |
415.906
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| Canonical SMILES |
Cl.NC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(N)c2ccsc12
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| InChI |
InChI=1S/C19H17N5O2S.ClH/c20-14-11-5-8-27-18(11)15(23-6-7-24-19(21)22)13-12(14)16(25)9-3-1-2-4-10(9)17(13)26;/h1-5,8,23H,6-7,20H2,(H4,21,22,24);1H
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| InChIKey |
KSTFOADJCVFZQP-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