General Information of the Compound
| Compound ID |
CP0349458
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| Compound Name |
(S)-N-(2-ethoxyethyl)-N-(2-hydroxy-3-(9-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-2-yl)propyl)-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C31H46N6O4S
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| Molecular Weight |
598.814
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCN(CC2)c2ncnc3[nH]cc(C)c23)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C31H46N6O4S/c1-5-41-17-16-37(42(39,40)28-23(2)8-6-9-24(28)3)20-26(38)19-35-13-7-10-31(21-35)11-14-36(15-12-31)30-27-25(4)18-32-29(27)33-22-34-30/h6,8-9,18,22,26,38H,5,7,10-17,19-21H2,1-4H3,(H,32,33,34)/t26-/m0/s1
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| InChIKey |
ODFPLSCCVBAEFC-SANMLTNESA-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