General Information of the Compound
| Compound ID |
CP0553495
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| Compound Name |
N'-[2-[[11-[2-(1-aminoethylideneamino)ethylamino]-5,10-dioxonaphtho[2,3-f][1]benzothiol-4-yl]amino]ethyl]ethanimidamide;hydrochloride
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| Structure |
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| Formula |
C24H27ClN6O2S
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| Molecular Weight |
499.04
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| Canonical SMILES |
Cl.CC(=N)NCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC(C)=N)c2sccc12
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| InChI |
InChI=1S/C24H26N6O2S.ClH/c1-13(25)27-8-10-29-20-17-7-12-33-24(17)21(30-11-9-28-14(2)26)19-18(20)22(31)15-5-3-4-6-16(15)23(19)32;/h3-7,12,29-30H,8-11H2,1-2H3,(H2,25,27)(H2,26,28);1H
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| InChIKey |
GRLUJHCOLTZNFG-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