General Information of the Compound
| Compound ID |
CP0291638
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| Compound Name |
N-(2-ethoxyethyl)-N-[(2S)-2-hydroxy-3-[2-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]propyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C30H44N6O4S
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| Molecular Weight |
584.787
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncnc3[nH]cc(C)c23)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C30H44N6O4S/c1-5-40-15-14-36(41(38,39)27-22(2)8-6-9-23(27)3)18-25(37)17-34-12-7-10-30(19-34)11-13-35(20-30)29-26-24(4)16-31-28(26)32-21-33-29/h6,8-9,16,21,25,37H,5,7,10-15,17-20H2,1-4H3,(H,31,32,33)/t25-,30?/m0/s1
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| InChIKey |
DXSLUHIZCAMHTD-SUHMBNCMSA-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