General Information of the Compound
| Compound ID |
CP0496992
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| Compound Name |
(S)-tert-butyl 1'-(3-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-2-hydroxypropyl)-4,4'-bipiperidine-1-carboxylate
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| Structure |
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| Formula |
C39H49Cl2N5O5S
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| Molecular Weight |
770.824
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C1CCN(C[C@H](O)Cn2nc(c3CN(CCc23)S(C)(=O)=O)-c2ccc(Cl)c(c2)C#Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C39H49Cl2N5O5S/c1-39(2,3)51-38(48)44-20-15-29(16-21-44)28-13-18-43(19-14-28)24-33(47)25-46-36-17-22-45(52(4,49)50)26-34(36)37(42-46)31-9-12-35(41)30(23-31)8-5-27-6-10-32(40)11-7-27/h6-7,9-12,23,28-29,33,47H,13-22,24-26H2,1-4H3/t33-/m0/s1
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| InChIKey |
ZUHOBSMGMHKNEZ-XIFFEERXSA-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