General Information of the Compound
| Compound ID |
CP0901795
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| Compound Name |
(1R,5R,11S,14S)-5-benzyl-9-methyl-11-propyl-17-oxa-3,6,9,12-tetraazabicyclo[12.2.1]heptadecane-4,7,10-trione
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| Structure |
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| Formula |
C23H34N4O4
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| Molecular Weight |
430.549
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| Canonical SMILES |
CCC[C@@H]1NC[C@@H]2CC[C@H](CNC(=O)[C@@H](Cc3ccccc3)NC(=O)CN(C)C1=O)O2
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| InChI |
InChI=1S/C23H34N4O4/c1-3-7-19-23(30)27(2)15-21(28)26-20(12-16-8-5-4-6-9-16)22(29)25-14-18-11-10-17(31-18)13-24-19/h4-6,8-9,17-20,24H,3,7,10-15H2,1-2H3,(H,25,29)(H,26,28)/t17-,18+,19-,20+/m0/s1
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| InChIKey |
WDOYVBGFMRXSRY-ZGXWSNOMSA-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