General Information of the Compound
| Compound ID |
CP0156115
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| Compound Name |
3-[4-chloro-3-[2-[4-chloro-3-(2-morpholin-4-ylethylcarbamoyl)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 |
C35H41Cl2N7O3S
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| Molecular Weight |
710.732
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)NCCN1CCOCC1
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| InChI |
InChI=1S/C35H41Cl2N7O3S/c36-30-7-5-27(33-29-24-43(35(38)46)12-8-32(29)44(40-33)11-1-10-41-16-20-48-21-17-41)23-26(30)4-2-25-3-6-31(37)28(22-25)34(45)39-9-13-42-14-18-47-19-15-42/h3,5-7,22-23H,1,8-21,24H2,(H2,38,46)(H,39,45)
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| InChIKey |
PKLVMMQQVRPJQX-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