General Information of the Compound
| Compound ID |
CP0159011
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| Compound Name |
1-(4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl)-3-(5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C29H33F3N6O3S
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| Molecular Weight |
602.683
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| Canonical SMILES |
CS(=O)(=O)N1CCc2c(C1)c(nn2CC(O)CN1CCC(CC1)c1c[nH]c2cccnc12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H33F3N6O3S/c1-42(40,41)37-14-10-26-24(18-37)27(20-4-6-21(7-5-20)29(30,31)32)35-38(26)17-22(39)16-36-12-8-19(9-13-36)23-15-34-25-3-2-11-33-28(23)25/h2-7,11,15,19,22,34,39H,8-10,12-14,16-18H2,1H3
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| InChIKey |
XQKJWWXESWDJAL-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