General Information of the Compound
| Compound ID |
CP0533179
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| Compound Name |
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
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| Structure |
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| Formula |
C32H36N6O3
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| Molecular Weight |
552.679
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@H]3CN4C)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C32H36N6O3/c1-5-6-30(39)27-15-33-38(21(27)3)23-10-8-22(9-11-23)34-32(41)28-18-36(29-12-7-20(2)13-26(28)29)19-31(40)37-17-24-14-25(37)16-35(24)4/h7-13,15,18,24-25H,5-6,14,16-17,19H2,1-4H3,(H,34,41)/t24-,25-/m0/s1
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| InChIKey |
QADYICPXCLUKAL-DQEYMECFSA-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