General Information of the Compound
| Compound ID |
CP0430430
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| Compound Name |
2-[5-[1-[2-hydroxy-3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-morpholin-4-ylethanone
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| Structure |
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| Formula |
C29H40F3N5O5S2
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| Molecular Weight |
659.797
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| Canonical SMILES |
C[C@H]1CCCCN1CC(O)Cn1nc(c2CN(CCc12)S(C)(=O)=O)-c1ccc(c(SCC(=O)N2CCOCC2)c1)C(F)(F)F
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| InChI |
InChI=1S/C29H40F3N5O5S2/c1-20-5-3-4-9-35(20)16-22(38)17-37-25-8-10-36(44(2,40)41)18-23(25)28(33-37)21-6-7-24(29(30,31)32)26(15-21)43-19-27(39)34-11-13-42-14-12-34/h6-7,15,20,22,38H,3-5,8-14,16-19H2,1-2H3/t20-,22?/m0/s1
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| InChIKey |
HCWXJCDBLQPFAD-AIBWNMTMSA-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