General Information of the Compound
| Compound ID |
CP0318460
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| Compound Name |
4,11-bis[2-(methylamino)ethylamino]naphtho[2,3-f][1]benzothiole-5,10-dione;hydrochloride
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| Structure |
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| Formula |
C22H25ClN4O2S
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| Molecular Weight |
444.988
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| Canonical SMILES |
Cl.CNCCNc1c2C(=O)c3ccccc3C(=O)c2c(NCCNC)c2sccc12
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| InChI |
InChI=1S/C22H24N4O2S.ClH/c1-23-8-10-25-18-15-7-12-29-22(15)19(26-11-9-24-2)17-16(18)20(27)13-5-3-4-6-14(13)21(17)28;/h3-7,12,23-26H,8-11H2,1-2H3;1H
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| InChIKey |
IWFNYBFNXUYKLW-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