General Information of the Compound
| Compound ID |
CP0554882
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| Compound Name |
(E)-3-[4-chloro-2-(tetrazol-2-ylmethyl)phenyl]-1-[(2R)-4-[(4-fluorophenyl)methyl]-2-methylpiperazin-1-yl]prop-2-en-1-one
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| Formula |
C23H24ClFN6O
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| Molecular Weight |
454.937
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)\C=C\c1ccc(Cl)cc1Cn1ncnn1
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| InChI |
InChI=1S/C23H24ClFN6O/c1-17-13-29(14-18-2-7-22(25)8-3-18)10-11-30(17)23(32)9-5-19-4-6-21(24)12-20(19)15-31-27-16-26-28-31/h2-9,12,16-17H,10-11,13-15H2,1H3/b9-5+/t17-/m1/s1
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| InChIKey |
YCGQGGXPQSSBTO-HFTQHKIXSA-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