General Information of the Compound
| Compound ID |
CP0139000
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| Compound Name |
(2R)-4-(6-phenyl-7-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)pyrido[2,3-d]pyrimidin-2-yl)piperazin-2-ol
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| Structure |
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| Formula |
C36H36N10O
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| Molecular Weight |
624.753
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| Canonical SMILES |
O[C@@H]1CN(CCN1)c1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C36H36N10O/c47-31-23-46(19-16-38-31)36-39-21-28-20-29(25-6-2-1-3-7-25)32(40-33(28)42-36)26-11-9-24(10-12-26)22-45-17-13-27(14-18-45)34-41-35(44-43-34)30-8-4-5-15-37-30/h1-12,15,20-21,27,31,38,47H,13-14,16-19,22-23H2,(H,41,43,44)/t31-/m1/s1
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| InChIKey |
GEUJZAFEKBKRHA-WJOKGBTCSA-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