General Information of the Compound
| Compound ID |
CP0486781
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| Compound Name |
2-[3-(4-methylpiperazin-1-yl)propyl]-5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C24H27N5O2S2
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| Molecular Weight |
481.647
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| Canonical SMILES |
CN1CCN(CCCN2Cc3cc(ccc3C2=O)-c2ccc(\C=C3\NC(=S)NC3=O)s2)CC1
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| InChI |
InChI=1S/C24H27N5O2S2/c1-27-9-11-28(12-10-27)7-2-8-29-15-17-13-16(3-5-19(17)23(29)31)21-6-4-18(33-21)14-20-22(30)26-24(32)25-20/h3-6,13-14H,2,7-12,15H2,1H3,(H2,25,26,30,32)/b20-14+
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| InChIKey |
ZDAYCZZUPJPGIU-XSFVSMFZSA-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