General Information of the Compound
| Compound ID |
CP0575355
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| Compound Name |
(E)-3-[4-chloro-2-[(5-methyltetrazol-2-yl)methyl]phenyl]-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
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| Formula |
C24H27ClN6O2
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| Molecular Weight |
466.973
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| Canonical SMILES |
COc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccc(Cl)cc2Cn2nnc(C)n2)cc1
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| InChI |
InChI=1S/C24H27ClN6O2/c1-18-26-28-31(27-18)17-21-15-22(25)7-5-20(21)6-10-24(32)30-13-11-29(12-14-30)16-19-3-8-23(33-2)9-4-19/h3-10,15H,11-14,16-17H2,1-2H3/b10-6+
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| InChIKey |
RWHQZXXNFSNYQL-UXBLZVDNSA-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