General Information of the Compound
| Compound ID |
CP0308787
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| Compound Name |
1-(4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl)-3-(3-(4-bromophenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C28H33BrN6O3S
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| Molecular Weight |
613.582
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2ccncc12)-c1ccc(Br)cc1
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| InChI |
InChI=1S/C28H33BrN6O3S/c1-39(37,38)34-13-9-27-25(18-34)28(20-2-4-21(29)5-3-20)32-35(27)17-22(36)16-33-11-7-19(8-12-33)23-15-31-26-6-10-30-14-24(23)26/h2-6,10,14-15,19,22,31,36H,7-9,11-13,16-18H2,1H3
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| InChIKey |
JCPYLQMDIBMVPM-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