General Information of the Compound
| Compound ID |
CP0421679
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-(decylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C38H54N6O3
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| Molecular Weight |
642.889
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| Canonical SMILES |
CCCCCCCCCCNC(=O)[C@H](CCC1CCCCC1)NC(=O)c1ccc(CNC(=O)c2cnn(c2N)-c2ccccc2)cc1
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| InChI |
InChI=1S/C38H54N6O3/c1-2-3-4-5-6-7-8-15-26-40-38(47)34(25-22-29-16-11-9-12-17-29)43-36(45)31-23-20-30(21-24-31)27-41-37(46)33-28-42-44(35(33)39)32-18-13-10-14-19-32/h10,13-14,18-21,23-24,28-29,34H,2-9,11-12,15-17,22,25-27,39H2,1H3,(H,40,47)(H,41,46)(H,43,45)/t34-/m0/s1
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| InChIKey |
MVQHWCWEILUFSD-UMSFTDKQSA-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