General Information of the Compound
| Compound ID |
CP0410789
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| Compound Name |
3-cyclopentyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene
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| Structure |
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| Formula |
C25H29F2O3PS
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| Molecular Weight |
478.541
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| Canonical SMILES |
CCOP(=O)(OCC)C(Cc1ccc(F)c(F)c1)c1sc2ccccc2c1C1CCCC1
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| InChI |
InChI=1S/C25H29F2O3PS/c1-3-29-31(28,30-4-2)22(16-17-13-14-20(26)21(27)15-17)25-24(18-9-5-6-10-18)19-11-7-8-12-23(19)32-25/h7-8,11-15,18,22H,3-6,9-10,16H2,1-2H3
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| InChIKey |
IHVIOXZUOAYYNV-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