General Information of the Compound
| Compound ID |
CP0228427
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| Compound Name |
3-[4-chloro-3-[2-[4-chloro-3-(piperidin-3-ylmethylcarbamoyl)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 |
C35H41Cl2N7O2S
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| Molecular Weight |
694.733
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCC1CCCNC1
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| InChI |
InChI=1S/C35H41Cl2N7O2S/c36-30-9-7-27(20-26(30)6-4-24-5-8-31(37)28(19-24)34(45)40-22-25-3-1-11-39-21-25)33-29-23-43(35(38)46)14-10-32(29)44(41-33)13-2-12-42-15-17-47-18-16-42/h5,7-9,19-20,25,39H,1-3,10-18,21-23H2,(H2,38,46)(H,40,45)
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| InChIKey |
VZLHTLDQRIGSNE-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