General Information of the Compound
| Compound ID |
CP0356116
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| Compound Name |
CHEMBL3786634
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| Formula |
C28H35N5O3S
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| Molecular Weight |
521.687
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1
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| InChI |
InChI=1S/C28H35N5O3S/c29-26-25-24(20-2-1-3-23(14-20)35-17-28-6-4-22(36-28)5-7-28)16-33(27(25)31-18-30-26)21-12-19(13-21)15-32-8-10-37(34)11-9-32/h1-3,14,16,18-19,21-22H,4-13,15,17H2,(H2,29,30,31)/t19-,21+,22?,28?
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| InChIKey |
CBQODGRJHHJAEC-MDSHCDAHSA-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: PT01104, Insulin-like growth factor 1 receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2