General Information of the Compound
| Compound ID |
CP0270778
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| Compound Name |
(S)-2-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-1-(2-hydroxy-3-(piperidin-1-yl)propyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-2-oxoacetamide
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| Structure |
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| Formula |
C30H40F4N6O3S
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| Molecular Weight |
640.748
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| Canonical SMILES |
NC(=O)C(=O)N1CCc2c(C1)c(nn2C[C@@H](O)CN1CCCCC1)-c1ccc(c(SCCN2CCC(F)CC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C30H40F4N6O3S/c31-21-6-11-37(12-7-21)14-15-44-26-16-20(4-5-24(26)30(32,33)34)27-23-19-39(29(43)28(35)42)13-8-25(23)40(36-27)18-22(41)17-38-9-2-1-3-10-38/h4-5,16,21-22,41H,1-3,6-15,17-19H2,(H2,35,42)/t22-/m0/s1
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| InChIKey |
GQALSEVQDWBHFZ-QFIPXVFZSA-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