General Information of the Compound
| Compound ID |
CP0875144
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| Compound Name |
(3aS,6R,9R)-9-benzyl-5,6-dimethyl-3,3a,5,6,8,9,11,12,13,14,20,21-dodecahydro-1H-benzo[q]pyrrolo[1,2-d][1,4,7,10,13]oxatetraazacyclooctadecine-4,7,10(2H)-trione
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| Structure |
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| Formula |
C29H38N4O4
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| Molecular Weight |
506.647
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN2CCC[C@H]2C(=O)N1C
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| InChI |
InChI=1S/C29H38N4O4/c1-21-27(34)31-24(20-22-10-4-3-5-11-22)28(35)30-16-8-13-23-12-6-7-15-26(23)37-19-18-33-17-9-14-25(33)29(36)32(21)2/h3-7,10-12,15,21,24-25H,8-9,13-14,16-20H2,1-2H3,(H,30,35)(H,31,34)/t21-,24-,25+/m1/s1
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| InChIKey |
DVLBUCJQKRWFDN-SDUSCBPUSA-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