General Information of the Compound
| Compound ID |
CP0573728
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-fluoro-6-methoxyphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H42FN5O3
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| Molecular Weight |
539.696
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| Canonical SMILES |
COc1cccc(F)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1CCC1
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| InChI |
InChI=1S/C30H42FN5O3/c1-39-27-14-8-13-24(31)29(27)26-20-25(34-36(26)23-11-3-4-12-23)30(38)33-22(15-18-35-16-5-2-6-17-35)19-28(37)32-21-9-7-10-21/h8,13-14,20-23H,2-7,9-12,15-19H2,1H3,(H,32,37)(H,33,38)/t22-/m0/s1
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| InChIKey |
DLJHFTASKDWISV-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