General Information of the Compound
| Compound ID |
CP0882376
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| Compound Name |
SID131433975
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| Structure |
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| Formula |
C37H46N4O4
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| Molecular Weight |
610.799
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| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)[C@H](Cc2ccccc2)N(C)C)OCc2ccccc2-c2c(n(C)c3ccccc23)C1=O
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| InChI |
InChI=1S/C37H46N4O4/c1-25-21-41(26(2)23-42)37(44)35-34(30-18-12-13-19-31(30)40(35)6)29-17-11-10-16-28(29)24-45-33(25)22-39(5)36(43)32(38(3)4)20-27-14-8-7-9-15-27/h7-19,25-26,32-33,42H,20-24H2,1-6H3/t25-,26+,32-,33-/m0/s1
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| InChIKey |
UJZHWGMAKJZUOC-QRSNXCHESA-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