General Information of the Compound
| Compound ID |
CP0907804
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| Compound Name |
SID85270718
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| Structure |
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| Formula |
C20H27N5O7S
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| Molecular Weight |
481.531
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| Canonical SMILES |
CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(=O)[nH]c1=O
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| InChI |
InChI=1S/C20H27N5O7S/c1-4-5-9-24-17(21)16(18(27)22-20(24)29)23(10-8-12(2)3)14(26)11-32-19(28)13-6-7-15(33-13)25(30)31/h6-7,12H,4-5,8-11,21H2,1-3H3,(H,22,27,29)
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| InChIKey |
OJPKSOCHKLYKJT-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
Protein ID: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8