General Information of the Compound
| Compound ID |
CP0525797
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| Compound Name |
(3S)-3-[[1-cycloheptyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-cyclohexylpentanoic acid
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| Structure |
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| Formula |
C30H43N3O5
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| Molecular Weight |
525.69
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O
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| InChI |
InChI=1S/C30H43N3O5/c1-37-26-15-10-16-27(38-2)29(26)25-20-24(32-33(25)23-13-8-3-4-9-14-23)30(36)31-22(19-28(34)35)18-17-21-11-6-5-7-12-21/h10,15-16,20-23H,3-9,11-14,17-19H2,1-2H3,(H,31,36)(H,34,35)/t22-/m0/s1
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| InChIKey |
WDBVNQIUPILMLV-QFIPXVFZSA-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