General Information of the Compound
| Compound ID |
CP0947578
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| Compound Name |
SID131413392
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| Structure |
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| Formula |
C30H35N3O5S
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| Molecular Weight |
549.693
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| Canonical SMILES |
COc1ccccc1C#Cc1ccc2c(c1)O[C@H](CN(C)Cc1cccnc1)[C@H](C)CN([C@H](C)CO)S2(=O)=O
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| InChI |
InChI=1S/C30H35N3O5S/c1-22-18-33(23(2)21-34)39(35,36)30-14-12-24(11-13-26-9-5-6-10-27(26)37-4)16-28(30)38-29(22)20-32(3)19-25-8-7-15-31-17-25/h5-10,12,14-17,22-23,29,34H,18-21H2,1-4H3/t22-,23-,29-/m1/s1
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| InChIKey |
AWBBMFXXCINDIY-VDWGHMIBSA-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