General Information of the Compound
| Compound ID |
CP0499950
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| Compound Name |
CHEMBL1762371
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| Formula |
C53H82N6O2
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| Molecular Weight |
835.279
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| Canonical SMILES |
CC(C)[C@H]1CC[C@H](CC1)N1CCC2(CC1)N(CN(CCCCCCCCCN1CN(c3ccccc3)C3(CCN(CC3)[C@@H]3CC[C@@H](CC3)C(C)C)C1=O)C2=O)c1ccccc1
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| InChI |
InChI=1S/C53H82N6O2/c1-42(2)44-22-26-46(27-23-44)54-36-30-52(31-37-54)50(60)56(40-58(52)48-18-12-10-13-19-48)34-16-8-6-5-7-9-17-35-57-41-59(49-20-14-11-15-21-49)53(51(57)61)32-38-55(39-33-53)47-28-24-45(25-29-47)43(3)4/h10-15,18-21,42-47H,5-9,16-17,22-41H2,1-4H3/t44-,45-,46+,47+
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| InChIKey |
IVBLWRFBFZGLIU-YALBIVEQSA-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