General Information of the Compound
| Compound ID |
CP0546474
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| Compound Name |
2-[[2-[5-(1,3-benzodioxol-5-yl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
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| Structure |
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| Formula |
C24H32N6O4
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| Molecular Weight |
468.558
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| Canonical SMILES |
CC(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1ccc2OCOc2c1)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C24H32N6O4/c1-16(24(32)25-18-7-5-6-8-18)30(19-9-3-2-4-10-19)22(31)14-29-27-23(26-28-29)17-11-12-20-21(13-17)34-15-33-20/h11-13,16,18-19H,2-10,14-15H2,1H3,(H,25,32)
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| InChIKey |
RZNBRWZQSTXMIV-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