General Information of the Compound
| Compound ID |
CP0567571
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| Compound Name |
1-cyclopentyl-5-(2,6-dimethoxyphenyl)-N-[(3S)-1-oxo-5-piperidin-1-yl-1-(1,3-thiazol-2-ylamino)pentan-3-yl]pyrazole-3-carboxamide
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| Structure |
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| Formula |
C30H40N6O4S
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| Molecular Weight |
580.755
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| Canonical SMILES |
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)Nc1nccs1
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| InChI |
InChI=1S/C30H40N6O4S/c1-39-25-11-8-12-26(40-2)28(25)24-20-23(34-36(24)22-9-4-5-10-22)29(38)32-21(13-17-35-15-6-3-7-16-35)19-27(37)33-30-31-14-18-41-30/h8,11-12,14,18,20-22H,3-7,9-10,13,15-17,19H2,1-2H3,(H,32,38)(H,31,33,37)/t21-/m0/s1
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| InChIKey |
FEHRYWLADGMMOB-NRFANRHFSA-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