General Information of the Compound
| Compound ID |
CP0952397
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| Compound Name |
SID131423342
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| Structure |
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| Formula |
C29H34N4O5S
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| Molecular Weight |
550.681
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| Canonical SMILES |
COc1ccccc1C#Cc1ccc2c(c1)O[C@@H](CN(C)Cc1cncnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C29H34N4O5S/c1-21-16-33(22(2)19-34)39(35,36)29-12-10-23(9-11-25-7-5-6-8-26(25)37-4)13-27(29)38-28(21)18-32(3)17-24-14-30-20-31-15-24/h5-8,10,12-15,20-22,28,34H,16-19H2,1-4H3/t21-,22-,28+/m1/s1
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| InChIKey |
YLMWHHWYIGARGO-XJGOYTCSSA-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