General Information of the Compound
| Compound ID |
CP0453615
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| Compound Name |
(9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-10,13,16-trioxo-7,8,9,10,11,12,13,14,15,16,17,18-dodecahydro-6H-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecen-15-yl]-acetic acid
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| Structure |
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| Formula |
C29H36N4O7
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| Molecular Weight |
552.628
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CC(O)=O)NC1=O
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| InChI |
InChI=1S/C29H36N4O7/c1-18(2)26-29(39)32-23(17-25(35)36)27(37)31-13-5-7-20-6-3-4-8-24(20)40-15-14-30-22(28(38)33-26)16-19-9-11-21(34)12-10-19/h3-12,18,22-23,26,30,34H,13-17H2,1-2H3,(H,31,37)(H,32,39)(H,33,38)(H,35,36)/b7-5+/t22-,23+,26-/m1/s1
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| InChIKey |
VYPKFPCKFUXKPI-FIWZSRBJSA-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