General Information of the Compound
| Compound ID |
CP0552797
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C33H38N6O3S
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| Molecular Weight |
598.773
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCc1cccs1
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| InChI |
InChI=1S/C33H38N6O3S/c34-30-28(22-37-39(30)26-10-5-2-6-11-26)32(41)35-20-24-13-16-25(17-14-24)31(40)38-29(18-15-23-8-3-1-4-9-23)33(42)36-21-27-12-7-19-43-27/h2,5-7,10-14,16-17,19,22-23,29H,1,3-4,8-9,15,18,20-21,34H2,(H,35,41)(H,36,42)(H,38,40)/t29-/m0/s1
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| InChIKey |
IQRSUTGHFCSIML-LJAQVGFWSA-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