General Information of the Compound
| Compound ID |
CP0530082
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| Compound Name |
(S)-1-(4,4'-bipiperidin-1-yl)-3-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C34H41Cl2N5O3S
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| Molecular Weight |
670.707
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCC(CC1)C1CCNCC1)-c1ccc(Cl)c(c1)C#Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C34H41Cl2N5O3S/c1-45(43,44)40-19-14-33-31(23-40)34(28-6-9-32(36)27(20-28)5-2-24-3-7-29(35)8-4-24)38-41(33)22-30(42)21-39-17-12-26(13-18-39)25-10-15-37-16-11-25/h3-4,6-9,20,25-26,30,37,42H,10-19,21-23H2,1H3/t30-/m0/s1
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| InChIKey |
YCTIEUYABNSKIG-PMERELPUSA-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