General Information of the Compound
| Compound ID |
CP0875576
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| Compound Name |
(8R,11R)-11-(3-chlorobenzyl)-7,8-dimethyl-3,4,7,8,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-5,1'-cyclopentane]-6,9,12(2H)-trione
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| Structure |
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| Formula |
C30H37ClN4O4
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| Molecular Weight |
553.103
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2cccc(Cl)c2)C(=O)NC/C=C\c2ccccc2OCCNC2(CCCC2)C(=O)N1C
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| InChI |
InChI=1S/C30H37ClN4O4/c1-21-27(36)34-25(20-22-9-7-12-24(31)19-22)28(37)32-16-8-11-23-10-3-4-13-26(23)39-18-17-33-30(14-5-6-15-30)29(38)35(21)2/h3-4,7-13,19,21,25,33H,5-6,14-18,20H2,1-2H3,(H,32,37)(H,34,36)/b11-8-/t21-,25-/m1/s1
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| InChIKey |
UQMRORDMCABYAC-BOUCZSCDSA-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