General Information of the Compound
| Compound ID |
CP0142739
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| Compound Name |
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazol-3-yl]propan-1-one
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| Structure |
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| Formula |
C37H41N5O
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| Molecular Weight |
571.769
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| Canonical SMILES |
Cc1ccc(cc1)-c1cc(CCC(=O)N2CCN(Cc3ccc(cc3)C(C)(C)C)CC2)nn1-c1ccc2ccccc2n1
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| InChI |
InChI=1S/C37H41N5O/c1-27-9-13-30(14-10-27)34-25-32(39-42(34)35-19-15-29-7-5-6-8-33(29)38-35)18-20-36(43)41-23-21-40(22-24-41)26-28-11-16-31(17-12-28)37(2,3)4/h5-17,19,25H,18,20-24,26H2,1-4H3
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| InChIKey |
YKBZLLVSEVPVRR-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