General Information of the Compound
| Compound ID |
CP0944041
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| Compound Name |
SID144194765
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
O=C(C1CCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCc4ccccc4)cc3)[C@H]2C1
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| InChI |
InChI=1S/C27H28N2O3/c30-18-24-26(23-16-28(17-25(31)29(23)24)27(32)22-10-5-11-22)21-14-12-20(13-15-21)9-4-8-19-6-2-1-3-7-19/h1-3,6-7,12-15,22-24,26,30H,5,8,10-11,16-18H2/t23-,24-,26-/m1/s1
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| InChIKey |
GZGLUPGNNREEHK-DGWZTRNLSA-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