General Information of the Compound
| Compound ID |
CP0318810
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| Compound Name |
3-[4-chloro-3-[2-[4-[(4-chlorophenyl)methylcarbamoyl]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 |
C36H36Cl2N6O2S
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| Molecular Weight |
687.697
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NCc1ccc(Cl)cc1
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| InChI |
InChI=1S/C36H36Cl2N6O2S/c37-30-11-5-26(6-12-30)23-40-35(45)27-7-2-25(3-8-27)4-9-28-22-29(10-13-32(28)38)34-31-24-43(36(39)46)17-14-33(31)44(41-34)16-1-15-42-18-20-47-21-19-42/h2-3,5-8,10-13,22H,1,14-21,23-24H2,(H2,39,46)(H,40,45)
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| InChIKey |
QGHYOERHLJYUNO-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