General Information of the Compound
| Compound ID |
CP0511027
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| Compound Name |
(5R,8R,11S)-11-(3-aminopropyl)-5-[(4-hydroxyphenyl)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C30H41N5O5
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| Molecular Weight |
551.688
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2\C=C\CNC(=O)[C@H](CCCN)NC1=O
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| InChI |
InChI=1S/C30H41N5O5/c1-20(2)27-30(39)34-24(9-5-15-31)28(37)33-16-6-8-22-7-3-4-10-26(22)40-18-17-32-25(29(38)35-27)19-21-11-13-23(36)14-12-21/h3-4,6-8,10-14,20,24-25,27,32,36H,5,9,15-19,31H2,1-2H3,(H,33,37)(H,34,39)(H,35,38)/b8-6+/t24-,25+,27+/m0/s1
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| InChIKey |
NJQDGJVEBGAIQO-OUWCSBRQSA-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