General Information of the Compound
| Compound ID |
CP0421683
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| Compound Name |
5-amino-N-[[4-[[(2S)-1-[4-(4-bromophenyl)piperazin-1-yl]-4-cyclohexyl-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]-1-phenylpyrazole-4-carboxamide
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| Formula |
C38H44BrN7O3
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| Molecular Weight |
726.72
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| Canonical SMILES |
Nc1c(cnn1-c1ccccc1)C(=O)NCc1ccc(cc1)C(=O)N[C@@H](CCC1CCCCC1)C(=O)N1CCN(CC1)c1ccc(Br)cc1
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| InChI |
InChI=1S/C38H44BrN7O3/c39-30-16-18-31(19-17-30)44-21-23-45(24-22-44)38(49)34(20-13-27-7-3-1-4-8-27)43-36(47)29-14-11-28(12-15-29)25-41-37(48)33-26-42-46(35(33)40)32-9-5-2-6-10-32/h2,5-6,9-12,14-19,26-27,34H,1,3-4,7-8,13,20-25,40H2,(H,41,48)(H,43,47)/t34-/m0/s1
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| InChIKey |
CTPKHXBANMVFHD-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