General Information of the Compound
| Compound ID |
CP0525379
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| Compound Name |
5-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]thiophen-2-yl]-2-(3-pyrrolidin-1-ylpropyl)-3H-isoindol-1-one
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| Structure |
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| Formula |
C23H24N4O2S2
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| Molecular Weight |
452.605
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| Canonical SMILES |
O=C1NC(=S)N\C1=C\c1ccc(s1)-c1ccc2C(=O)N(CCCN3CCCC3)Cc2c1
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| InChI |
InChI=1S/C23H24N4O2S2/c28-21-19(24-23(30)25-21)13-17-5-7-20(31-17)15-4-6-18-16(12-15)14-27(22(18)29)11-3-10-26-8-1-2-9-26/h4-7,12-13H,1-3,8-11,14H2,(H2,24,25,28,30)/b19-13+
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| InChIKey |
BULLHPVZOFBBFN-CPNJWEJPSA-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