General Information of the Compound
| Compound ID |
CP0569308
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| Compound Name |
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-ethynylphenyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C31H41N5O2
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| Molecular Weight |
515.702
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| Canonical SMILES |
O=C(C[C@H](CCN1CCCCC1)NC(=O)c1cc(-c2ccccc2C#C)n(n1)C1CCCC1)NC1CCC1
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| InChI |
InChI=1S/C31H41N5O2/c1-2-23-11-4-7-16-27(23)29-22-28(34-36(29)26-14-5-6-15-26)31(38)33-25(17-20-35-18-8-3-9-19-35)21-30(37)32-24-12-10-13-24/h1,4,7,11,16,22,24-26H,3,5-6,8-10,12-15,17-21H2,(H,32,37)(H,33,38)/t25-/m0/s1
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| InChIKey |
KJQCOHOMZZPYHE-VWLOTQADSA-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