General Information of the Compound
| Compound ID |
CP0559581
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| Compound Name |
(3S)-5-(azepan-1-yl)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]pentanoic acid;hydrochloride
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| Formula |
C28H41ClN4O5
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| Molecular Weight |
549.112
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCCC1)CC(O)=O
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| InChI |
InChI=1S/C28H40N4O5.ClH/c1-36-24-12-9-13-25(37-2)27(24)23-19-22(30-32(23)21-10-5-6-11-21)28(35)29-20(18-26(33)34)14-17-31-15-7-3-4-8-16-31;/h9,12-13,19-21H,3-8,10-11,14-18H2,1-2H3,(H,29,35)(H,33,34);1H/t20-;/m0./s1
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| InChIKey |
NRTHDBXOXIGPBR-BDQAORGHSA-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