General Information of the Compound
| Compound ID |
CP0301666
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| Compound Name |
5-amino-N-[[4-[[(2S)-1-(benzylamino)-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C35H40N6O3
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| Molecular Weight |
592.744
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C35H40N6O3/c36-32-30(24-39-41(32)29-14-8-3-9-15-29)34(43)37-23-27-16-19-28(20-17-27)33(42)40-31(21-18-25-10-4-1-5-11-25)35(44)38-22-26-12-6-2-7-13-26/h2-3,6-9,12-17,19-20,24-25,31H,1,4-5,10-11,18,21-23,36H2,(H,37,43)(H,38,44)(H,40,42)/t31-/m0/s1
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| InChIKey |
FZAFIEBYNHDUQV-HKBQPEDESA-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