General Information of the Compound
| Compound ID |
CP0403495
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| Compound Name |
2-cyclopropyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-5-[3-(2H-tetrazol-5-yl)propylcarbamoyl]phenyl]-1,3-oxazole-4-carboxamide
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| Structure |
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| Formula |
C29H33N9O3
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| Molecular Weight |
555.643
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)c1ccc(cc1NC(=O)c1coc(n1)C1CC1)C(=O)NCCCc1nn[nH]n1
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| InChI |
InChI=1S/C29H33N9O3/c1-19-5-2-3-6-24(19)37-13-15-38(16-14-37)25-11-10-21(27(39)30-12-4-7-26-33-35-36-34-26)17-22(25)31-28(40)23-18-41-29(32-23)20-8-9-20/h2-3,5-6,10-11,17-18,20H,4,7-9,12-16H2,1H3,(H,30,39)(H,31,40)(H,33,34,35,36)
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| InChIKey |
LJVURTRRJBJBFC-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