General Information of the Compound
| Compound ID |
CP0233538
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| Compound Name |
(S)-1-(3-(3-(2-(4-fluoropiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)-3-(piperidin-1-yl)propan-2-ol
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| Structure |
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| Formula |
C29H41F4N5O3S2
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| Molecular Weight |
647.805
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| Canonical SMILES |
CS(=O)(=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/C29H41F4N5O3S2/c1-43(40,41)37-14-9-26-24(20-37)28(34-38(26)19-23(39)18-36-10-3-2-4-11-36)21-5-6-25(29(31,32)33)27(17-21)42-16-15-35-12-7-22(30)8-13-35/h5-6,17,22-23,39H,2-4,7-16,18-20H2,1H3/t23-/m0/s1
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| InChIKey |
QQXKBDCCRRDXTJ-QHCPKHFHSA-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