General Information of the Compound
| Compound ID |
CP0188324
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| Compound Name |
3-[4-chloro-3-[2-[4-chloro-3-(piperazine-1-carbonyl)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 |
C33H37Cl2N7O2S
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| Molecular Weight |
666.679
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)c(c1)C(=O)N1CCNCC1
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| InChI |
InChI=1S/C33H37Cl2N7O2S/c34-28-7-5-25(21-24(28)4-2-23-3-6-29(35)26(20-23)32(43)40-14-9-37-10-15-40)31-27-22-41(33(36)44)13-8-30(27)42(38-31)12-1-11-39-16-18-45-19-17-39/h3,5-7,20-21,37H,1,8-19,22H2,(H2,36,44)
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| InChIKey |
DDJHTMHHXPMIFZ-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