General Information of the Compound
| Compound ID |
CP0145805
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| Compound Name |
3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-[3-(4-phenylpiperazin-1-yl)propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
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| Structure |
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| Formula |
C42H43Cl2N7O
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| Molecular Weight |
732.76
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCN(CC1)c1ccccc1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C42H43Cl2N7O/c43-36-16-12-33(13-17-36)29-46-28-32-9-7-31(8-10-32)11-14-34-27-35(15-18-39(34)44)41-38-30-50(42(45)52)22-19-40(38)51(47-41)21-4-20-48-23-25-49(26-24-48)37-5-2-1-3-6-37/h1-3,5-10,12-13,15-18,27,46H,4,19-26,28-30H2,(H2,45,52)
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| InChIKey |
OMCRIJQOIAKPRU-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