General Information of the Compound
| Compound ID |
CP0084690
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| Compound Name |
(3R,6R,9S,15E)-3-benzyl-9-[(2S)-butan-2-yl]-6,7-dimethyl-1,4,7,10-tetrazacyclooctadec-15-ene-2,5,8-trione
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| Structure |
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| Formula |
C27H42N4O3
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| Molecular Weight |
470.658
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCCC\C=C\CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C27H42N4O3/c1-5-20(2)24-27(34)31(4)21(3)25(32)30-23(19-22-15-11-10-12-16-22)26(33)29-18-14-9-7-6-8-13-17-28-24/h7,9-12,15-16,20-21,23-24,28H,5-6,8,13-14,17-19H2,1-4H3,(H,29,33)(H,30,32)/b9-7+/t20-,21+,23+,24-/m0/s1
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| InChIKey |
IBAKCVVTOJIOEN-ZIXQQCMUSA-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