General Information of the Compound
| Compound ID |
CP0948167
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| Compound Name |
SID144191134
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| Formula |
C30H25N3O2S
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| Molecular Weight |
491.616
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| Canonical SMILES |
N#Cc1ccc(-c2ccc([C@@H]3[C@@H]4CN(S(=O)(=O)c5ccc(-c6ccccc6)cc5)C[C@H]3N4)cc2)cc1
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| InChI |
InChI=1S/C30H25N3O2S/c31-18-21-6-8-23(9-7-21)24-10-12-26(13-11-24)30-28-19-33(20-29(30)32-28)36(34,35)27-16-14-25(15-17-27)22-4-2-1-3-5-22/h1-17,28-30,32H,19-20H2/t28-,29+,30+
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| InChIKey |
HMRUYMXOJFQJLS-BKHFGAQXSA-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