General Information of the Compound
| Compound ID |
CP0145804
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| Compound Name |
3-[4-chloro-3-[2-[4-[[(2S)-pyrrolidin-2-yl]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 |
C34H40ClN7O2S
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| Molecular Weight |
646.261
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| Canonical SMILES |
NC(=O)N1CCc2c(C1)c(nn2CCCN1CCSCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(cc1)C(=O)NC[C@@H]1CCCN1
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| InChI |
InChI=1S/C34H40ClN7O2S/c35-30-11-10-27(21-26(30)9-6-24-4-7-25(8-5-24)33(43)38-22-28-3-1-13-37-28)32-29-23-41(34(36)44)16-12-31(29)42(39-32)15-2-14-40-17-19-45-20-18-40/h4-5,7-8,10-11,21,28,37H,1-3,12-20,22-23H2,(H2,36,44)(H,38,43)/t28-/m0/s1
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| InChIKey |
UCEUFNZZNLVGCO-NDEPHWFRSA-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