General Information of the Compound
| Compound ID |
CP0434323
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| Compound Name |
(5R,8R,11S)-11-(aminomethyl)-5-[(3-chlorophenyl)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 |
C28H38ClN5O4
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| Molecular Weight |
544.096
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CN)NC1=O
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| InChI |
InChI=1S/C28H38ClN5O4/c1-18(2)25-28(37)33-23(17-30)26(35)32-12-6-9-20-8-3-4-11-24(20)38-14-13-31-22(27(36)34-25)16-19-7-5-10-21(29)15-19/h3-5,7-8,10-11,15,18,22-23,25,31H,6,9,12-14,16-17,30H2,1-2H3,(H,32,35)(H,33,37)(H,34,36)/t22-,23+,25-/m1/s1
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| InChIKey |
WYYBCZKSXSIUBO-GIFXNVAJSA-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