General Information of the Compound
| Compound ID |
CP0546477
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| Compound Name |
2-[[2-[5-(2-chlorophenyl)tetrazol-2-yl]acetyl]-cyclohexylamino]-N-cyclopentylpropanamide
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| Structure |
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| Formula |
C23H31ClN6O2
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| Molecular Weight |
458.994
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| Canonical SMILES |
CC(N(C1CCCCC1)C(=O)Cn1nnc(n1)-c1ccccc1Cl)C(=O)NC1CCCC1
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| InChI |
InChI=1S/C23H31ClN6O2/c1-16(23(32)25-17-9-5-6-10-17)30(18-11-3-2-4-12-18)21(31)15-29-27-22(26-28-29)19-13-7-8-14-20(19)24/h7-8,13-14,16-18H,2-6,9-12,15H2,1H3,(H,25,32)
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| InChIKey |
SMBXTNLZRHYFQI-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