General Information of the Compound
| Compound ID |
CP0885906
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| Compound Name |
SID144194091
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| Formula |
C30H28N2O3S
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| Molecular Weight |
496.632
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| Canonical SMILES |
COc1ccccc1-c1ccc([C@@H]2[C@@H]3CN(S(=O)(=O)c4ccc(-c5ccccc5)cc4)C[C@H]2N3)cc1
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| InChI |
InChI=1S/C30H28N2O3S/c1-35-29-10-6-5-9-26(29)23-11-13-24(14-12-23)30-27-19-32(20-28(30)31-27)36(33,34)25-17-15-22(16-18-25)21-7-3-2-4-8-21/h2-18,27-28,30-31H,19-20H2,1H3/t27-,28+,30+
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| InChIKey |
LAOLSSUILDYCDS-KOFOWLMNSA-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