General Information of the Compound
| Compound ID |
CP0906897
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| Compound Name |
SID7970999
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| Structure |
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| Formula |
C27H27N5O2S
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| Molecular Weight |
485.613
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| Canonical SMILES |
Cc1nc2sc(C(c3ccco3)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(O)n2n1
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| InChI |
InChI=1S/C27H27N5O2S/c1-19-28-27-32(29-19)26(33)25(35-27)24(22-13-8-18-34-22)31-16-14-30(15-17-31)23(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-13,18,23-24,33H,14-17H2,1H3
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| InChIKey |
MOMUBXZLXXYZRJ-UHFFFAOYSA-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