General Information of the Compound
| Compound ID |
CP0557137
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| Compound Name |
[1-(4-methoxyphenyl)-3-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
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| Formula |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
COc1ccc(cc1)-n1cc(C(=O)N2CCN(CCN3CCCC3)CC2)c(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H33N5O2/c1-34-24-11-9-23(10-12-24)32-21-25(26(28-32)22-7-3-2-4-8-22)27(33)31-19-17-30(18-20-31)16-15-29-13-5-6-14-29/h2-4,7-12,21H,5-6,13-20H2,1H3
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| InChIKey |
MSMKPLXOMGCXNA-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