General Information of the Compound
| Compound ID |
CP0884817
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| Compound Name |
SID87541425
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| Structure |
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| Formula |
C37H42N4O5
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| Molecular Weight |
622.766
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)Nc3ccccc3)ccc2O[C@H]1CN(C)Cc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C37H42N4O5/c1-26-22-41(27(2)25-42)36(43)21-29-20-31(39-37(44)38-30-10-6-4-7-11-30)16-19-34(29)46-35(26)24-40(3)23-28-14-17-33(18-15-28)45-32-12-8-5-9-13-32/h4-20,26-27,35,42H,21-25H2,1-3H3,(H2,38,39,44)/t26-,27+,35+/m1/s1
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| InChIKey |
DETSJJCDIRAXSN-RYOMNGFGSA-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