General Information of the Compound
| Compound ID |
CP0548600
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| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-(1,3-oxazol-2-ylmethylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H42N6O5
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| Molecular Weight |
578.714
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NCc1ncco1
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| InChI |
InChI=1S/C31H42N6O5/c1-40-26-11-8-12-27(41-2)30(26)25-20-24(35-37(25)23-9-4-5-10-23)31(39)34-22(13-17-36-15-6-3-7-16-36)19-28(38)33-21-29-32-14-18-42-29/h8,11-12,14,18,20,22-23H,3-7,9-10,13,15-17,19,21H2,1-2H3,(H,33,38)(H,34,39)/t22-/m0/s1
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| InChIKey |
RWIJUYOOMDLGIL-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