General Information of the Compound
| Compound ID |
CP0499296
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| Compound Name |
2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]-N-cyclohexyl-N-[2-(cyclopentylamino)-2-oxoethyl]acetamide
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| Structure |
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| Formula |
C23H30N6O4
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| Molecular Weight |
454.531
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| Canonical SMILES |
O=C(CN(C1CCCCC1)C(=O)Cn1nnc(n1)-c1ccc2OCOc2c1)NC1CCCC1
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| InChI |
InChI=1S/C23H30N6O4/c30-21(24-17-6-4-5-7-17)13-28(18-8-2-1-3-9-18)22(31)14-29-26-23(25-27-29)16-10-11-19-20(12-16)33-15-32-19/h10-12,17-18H,1-9,13-15H2,(H,24,30)
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| InChIKey |
GDOCPHWHVZLBBD-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