General Information of the Compound
| Compound ID |
CP0397934
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| Compound Name |
2-[cyclohexyl-[2-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]acetyl]amino]-N-cyclopentyl-3-methylbutanamide
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| Structure |
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| Formula |
C27H40N6O4
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| Molecular Weight |
512.655
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| Canonical SMILES |
COc1ccc(cc1OC)-c1nnn(CC(=O)N(C(C(C)C)C(=O)NC2CCCC2)C2CCCCC2)n1
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| InChI |
InChI=1S/C27H40N6O4/c1-18(2)25(27(35)28-20-10-8-9-11-20)33(21-12-6-5-7-13-21)24(34)17-32-30-26(29-31-32)19-14-15-22(36-3)23(16-19)37-4/h14-16,18,20-21,25H,5-13,17H2,1-4H3,(H,28,35)
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| InChIKey |
FLVINNJBZVGJBI-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