General Information of the Compound
| Compound ID |
CP0466809
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| Compound Name |
(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-11-[(dimethylamino)methyl]-8-(propan-2-yl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C30H42ClN5O4
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| Molecular Weight |
572.15
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(Cl)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CN(C)C)NC1=O
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| InChI |
InChI=1S/C30H42ClN5O4/c1-20(2)27-30(39)34-25(19-36(3)4)28(37)33-15-7-9-22-8-5-6-10-26(22)40-17-16-32-24(29(38)35-27)18-21-11-13-23(31)14-12-21/h5-6,8,10-14,20,24-25,27,32H,7,9,15-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,38)/t24-,25+,27-/m1/s1
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| InChIKey |
UMMNOBJLIVPCET-CMTIAEDTSA-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