General Information of the Compound
| Compound ID |
CP0551278
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| Compound Name |
(3S)-3-[[1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]-5-(2,6-dimethylpiperidin-1-yl)pentanoic acid;hydrochloride
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| Formula |
C29H43ClN4O5
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| Molecular Weight |
563.139
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1C(C)CCCC1C)CC(O)=O
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| InChI |
InChI=1S/C29H42N4O5.ClH/c1-19-9-7-10-20(2)32(19)16-15-21(17-27(34)35)30-29(36)23-18-24(33(31-23)22-11-5-6-12-22)28-25(37-3)13-8-14-26(28)38-4;/h8,13-14,18-22H,5-7,9-12,15-17H2,1-4H3,(H,30,36)(H,34,35);1H/t19?,20?,21-;/m0./s1
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| InChIKey |
BGIHJGAYUJMKFC-GMIOCVINSA-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