General Information of the Compound
| Compound ID |
CP0546403
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-pyrrolidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2,6-dimethoxyphenyl)pyrazole-3-carboxamide;hydrochloride
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| Formula |
C30H44ClN5O4
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| Molecular Weight |
574.166
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| Canonical SMILES |
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C30H43N5O4.ClH/c1-38-26-13-8-14-27(39-2)29(26)25-20-24(33-35(25)23-11-3-4-12-23)30(37)32-22(15-18-34-16-5-6-17-34)19-28(36)31-21-9-7-10-21;/h8,13-14,20-23H,3-7,9-12,15-19H2,1-2H3,(H,31,36)(H,32,37);1H/t22-;/m0./s1
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| InChIKey |
OFCFZNZPXDWOEE-FTBISJDPSA-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