General Information of the Compound
| Compound ID |
CP0185712
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| Compound Name |
2-[3-[4-chloro-3-[2-[4-[[(4-chlorophenyl)methylamino]methyl]phenyl]ethynyl]phenyl]-1-(3-piperidin-1-ylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoacetamide
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| Structure |
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| Formula |
C38H40Cl2N6O2
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| Molecular Weight |
683.684
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| Canonical SMILES |
NC(=O)C(=O)N1CCc2c(C1)c(nn2CCCN1CCCCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(CNCc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C38H40Cl2N6O2/c39-32-14-10-29(11-15-32)25-42-24-28-7-5-27(6-8-28)9-12-30-23-31(13-16-34(30)40)36-33-26-45(38(48)37(41)47)22-17-35(33)46(43-36)21-4-20-44-18-2-1-3-19-44/h5-8,10-11,13-16,23,42H,1-4,17-22,24-26H2,(H2,41,47)
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| InChIKey |
CSROLUABTPSTFR-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