General Information of the Compound
| Compound ID |
CP0955588
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| Compound Name |
tert-Butyl-3-[(3S,6S,12S)-6-isobutyl-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl]propanoate
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| Structure |
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| Formula |
C25H33N3O4
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| Molecular Weight |
439.556
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| Canonical SMILES |
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21
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| InChI |
InChI=1S/C25H33N3O4/c1-14(2)12-19-22-16(15-8-6-7-9-17(15)26-22)13-20-23(30)27-18(24(31)28(19)20)10-11-21(29)32-25(3,4)5/h6-9,14,18-20,26H,10-13H2,1-5H3,(H,27,30)/t18-,19-,20-/m0/s1
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| InChIKey |
BCZFDPQIRPGIJS-UFYCRDLUSA-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