General Information of the Compound
| Compound ID |
CP0267562
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| Compound Name |
[[4-[2-(benzotriazol-1-yl)-2,5-diphenylpentyl]phenyl]-difluoromethyl]phosphonic acid
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| Structure |
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| Formula |
C30H28F2N3O3P
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| Molecular Weight |
547.542
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| Canonical SMILES |
OP(O)(=O)C(F)(F)c1ccc(CC(CCCc2ccccc2)(c2ccccc2)n2nnc3ccccc23)cc1
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| InChI |
InChI=1S/C30H28F2N3O3P/c31-30(32,39(36,37)38)26-19-17-24(18-20-26)22-29(25-13-5-2-6-14-25,21-9-12-23-10-3-1-4-11-23)35-28-16-8-7-15-27(28)33-34-35/h1-8,10-11,13-20H,9,12,21-22H2,(H2,36,37,38)
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| InChIKey |
DIGCHRPBTQFUGF-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