General Information of the Compound
| Compound ID |
CP0553323
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C29H36N6O3
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| Molecular Weight |
516.646
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| Canonical SMILES |
CNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C29H36N6O3/c1-31-29(38)25(17-14-20-8-4-2-5-9-20)34-27(36)22-15-12-21(13-16-22)18-32-28(37)24-19-33-35(26(24)30)23-10-6-3-7-11-23/h3,6-7,10-13,15-16,19-20,25H,2,4-5,8-9,14,17-18,30H2,1H3,(H,31,38)(H,32,37)(H,34,36)/t25-/m0/s1
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| InChIKey |
ONUFTYHQMKUPIK-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