General Information of the Compound
| Compound ID |
CP0577662
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| Compound Name |
1-[3-[3-(2-propylpiperidine-1-carbonyl)phenyl]phenyl]-5-(2-pyridazin-3-ylcyclopropyl)pyrazole-4-carboxylic acid
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| Structure |
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| Formula |
C32H33N5O3
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| Molecular Weight |
535.648
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| Canonical SMILES |
CCCC1CCCCN1C(=O)c1cccc(c1)-c1cccc(c1)-n1ncc(C(O)=O)c1C1CC1c1cccnn1
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| InChI |
InChI=1S/C32H33N5O3/c1-2-8-24-12-3-4-16-36(24)31(38)23-11-5-9-21(17-23)22-10-6-13-25(18-22)37-30(28(20-34-37)32(39)40)27-19-26(27)29-14-7-15-33-35-29/h5-7,9-11,13-15,17-18,20,24,26-27H,2-4,8,12,16,19H2,1H3,(H,39,40)
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| InChIKey |
KIQXPANGTBDFMC-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