General Information of the Compound
| Compound ID |
CP0318812
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| Compound Name |
2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-[3-[(3R)-3-methylmorpholin-4-yl]propyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C38H40Cl2N6O3
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| Molecular Weight |
699.683
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| Canonical SMILES |
C[C@@H]1COCCN1CCCn1nc(c2CN(CCc12)C(=O)C(N)=O)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C38H40Cl2N6O3/c1-26-25-49-20-19-44(26)16-2-17-46-35-15-18-45(38(48)37(41)47)24-33(35)36(43-46)31-11-14-34(40)30(21-31)10-7-27-3-5-28(6-4-27)22-42-23-29-8-12-32(39)13-9-29/h3-6,8-9,11-14,21,26,42H,2,15-20,22-25H2,1H3,(H2,41,47)/t26-/m1/s1
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| InChIKey |
JJZJEXQVGRSUNR-AREMUKBSSA-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