General Information of the Compound
| Compound ID |
CP0865831
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| Compound Name |
SID131434027
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| Structure |
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| Formula |
C33H41N3O4
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| Molecular Weight |
543.708
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| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CO)C(=O)c2ccccc2-c2ccccc2CO[C@@H]1CN(C)Cc1ccc2c(c1)OCCN2C
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| InChI |
InChI=1S/C33H41N3O4/c1-23-18-36(24(2)21-37)33(38)29-12-8-7-11-28(29)27-10-6-5-9-26(27)22-40-32(23)20-34(3)19-25-13-14-30-31(17-25)39-16-15-35(30)4/h5-14,17,23-24,32,37H,15-16,18-22H2,1-4H3/t23-,24+,32-/m1/s1
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| InChIKey |
LYDBHCHWWOEKQE-MKVNITDJSA-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