General Information of the Compound
| Compound ID |
CP0933068
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| Compound Name |
(5S,11S)-11-benzyl-5-(thiazol-4-ylmethyl)-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 |
C32H37N5O4S
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| Molecular Weight |
587.746
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1cscn1
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| InChI |
InChI=1S/C32H37N5O4S/c38-29-27(19-23-9-2-1-3-10-23)36-31(40)32(14-6-7-15-32)37-30(39)26(20-25-21-42-22-35-25)33-17-18-41-28-13-5-4-11-24(28)12-8-16-34-29/h1-5,8-13,21-22,26-27,33H,6-7,14-20H2,(H,34,38)(H,36,40)(H,37,39)/b12-8-/t26-,27-/m0/s1
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| InChIKey |
YTPWACIDTQZOLV-QFYDASNSSA-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