General Information of the Compound
| Compound ID |
CP0403571
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| Compound Name |
N-tert-butyl-3-[(2S,5S,8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanamide
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| Structure |
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| Formula |
C25H34N4O3
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| Molecular Weight |
438.572
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| Canonical SMILES |
CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C2=O
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| InChI |
InChI=1S/C25H34N4O3/c1-14(2)12-19-22-16(15-8-6-7-9-17(15)26-22)13-20-23(31)27-18(24(32)29(19)20)10-11-21(30)28-25(3,4)5/h6-9,14,18-20,26H,10-13H2,1-5H3,(H,27,31)(H,28,30)/t18-,19-,20-/m0/s1
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| InChIKey |
HYYBIHWTRYIMCY-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