General Information of the Compound
| Compound ID |
CP0318809
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| Compound Name |
3-[4-chloro-3-[2-[4-(morpholin-2-ylmethoxymethyl)phenyl]ethynyl]phenyl]-1-(3-thiomorpholin-4-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C34H41ClN6O3S
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| Molecular Weight |
649.261
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(COCC2CNCCO2)cc1
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| InChI |
InChI=1S/C34H41ClN6O3S/c35-31-9-8-28(20-27(31)7-6-25-2-4-26(5-3-25)23-43-24-29-21-37-11-17-44-29)33-30-22-40(34(36)42)14-10-32(30)41(38-33)13-1-12-39-15-18-45-19-16-39/h2-5,8-9,20,29,37H,1,10-19,21-24H2,(H2,36,42)
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| InChIKey |
FYLPLEPPYZYOGQ-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