General Information of the Compound
| Compound ID |
CP0205751
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| Compound Name |
2-[2-[[11-(3-aminopropylamino)-5,10-dioxonaphtho[2,3-f][1]benzothiol-4-yl]amino]ethyl]guanidine;hydrochloride
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| Structure |
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| Formula |
C22H25ClN6O2S
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| Molecular Weight |
473.002
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| Canonical SMILES |
Cl.NCCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(N)=N)c2ccsc12
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| InChI |
InChI=1S/C22H24N6O2S.ClH/c23-7-3-8-26-18-16-15(19(29)12-4-1-2-5-13(12)20(16)30)17(14-6-11-31-21(14)18)27-9-10-28-22(24)25;/h1-2,4-6,11,26-27H,3,7-10,23H2,(H4,24,25,28);1H
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| InChIKey |
NLLLEGMEEDYATR-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