General Information of the Compound
| Compound ID |
CP0540051
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| Compound Name |
1-[2-[(3S,7R,8aS)-7-hydroxy-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methylindole-3-carboxamide
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| Structure |
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| Formula |
C34H40N6O4
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| Molecular Weight |
596.732
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3C[C@@H]4C[C@@H](O)CN4C[C@@H]3C)c3ccc(C)cc23)cc1
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| InChI |
InChI=1S/C34H40N6O4/c1-5-6-32(42)29-15-35-40(23(29)4)25-10-8-24(9-11-25)36-34(44)30-19-38(31-12-7-21(2)13-28(30)31)20-33(43)39-17-26-14-27(41)18-37(26)16-22(39)3/h7-13,15,19,22,26-27,41H,5-6,14,16-18,20H2,1-4H3,(H,36,44)/t22-,26-,27+/m0/s1
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| InChIKey |
DLCYGZJMVABJII-WDDWZANVSA-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