General Information of the Compound
| Compound ID |
CP0538805
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C34H39N7O3
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| Molecular Weight |
593.732
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCc1cccnc1
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| InChI |
InChI=1S/C34H39N7O3/c35-31-29(23-39-41(31)28-11-5-2-6-12-28)33(43)37-21-25-13-16-27(17-14-25)32(42)40-30(18-15-24-8-3-1-4-9-24)34(44)38-22-26-10-7-19-36-20-26/h2,5-7,10-14,16-17,19-20,23-24,30H,1,3-4,8-9,15,18,21-22,35H2,(H,37,43)(H,38,44)(H,40,42)/t30-/m0/s1
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| InChIKey |
CIFFEWAEZGOSFE-PMERELPUSA-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