General Information of the Compound
| Compound ID |
CP0864933
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| Compound Name |
(5S,11S)-11-benzyl-5-(3-chlorobenzyl)-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C35H39ClN4O4
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| Molecular Weight |
615.174
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cccc(Cl)c1
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| InChI |
InChI=1S/C35H39ClN4O4/c36-28-15-8-12-26(22-28)24-29-33(42)40-35(17-6-7-18-35)34(43)39-30(23-25-10-2-1-3-11-25)32(41)38-19-9-14-27-13-4-5-16-31(27)44-21-20-37-29/h1-5,8-16,22,29-30,37H,6-7,17-21,23-24H2,(H,38,41)(H,39,43)(H,40,42)/b14-9-/t29-,30-/m0/s1
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| InChIKey |
QKMULUXDFPCMCO-GNSBTWLZSA-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