General Information of the Compound
| Compound ID |
CP0546875
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-thiophen-2-ylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C27H39N5O2S
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| Molecular Weight |
497.709
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| Canonical SMILES |
O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2cccs2)n(n1)C1CCCC1)NC1CCC1
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| InChI |
InChI=1S/C27H39N5O2S/c33-26(28-20-8-6-9-20)18-21(13-16-31-14-4-1-5-15-31)29-27(34)23-19-24(25-12-7-17-35-25)32(30-23)22-10-2-3-11-22/h7,12,17,19-22H,1-6,8-11,13-16,18H2,(H,28,33)(H,29,34)/t21-/m0/s1
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| InChIKey |
ZZBMUQBBLXZDHH-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