General Information of the Compound
| Compound ID |
CP0552185
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| Compound Name |
5-amino-N-[[4-[[(2S)-4-cyclohexyl-1-morpholin-4-yl-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C32H40N6O4
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| Molecular Weight |
572.71
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C32H40N6O4/c33-29-27(22-35-38(29)26-9-5-2-6-10-26)31(40)34-21-24-11-14-25(15-12-24)30(39)36-28(16-13-23-7-3-1-4-8-23)32(41)37-17-19-42-20-18-37/h2,5-6,9-12,14-15,22-23,28H,1,3-4,7-8,13,16-21,33H2,(H,34,40)(H,36,39)/t28-/m0/s1
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| InChIKey |
SHPDQLJRQYHHLZ-NDEPHWFRSA-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