General Information of the Compound
| Compound ID |
CP0234311
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| Compound Name |
(+/-)-N-(3-(2-(6-amino-5-cyclopropylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl)-2-hydroxypropyl)-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C30H46N6O4S
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| Molecular Weight |
586.803
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncnc(N)c2C2CC2)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C30H46N6O4S/c1-4-40-16-15-36(41(38,39)27-22(2)7-5-8-23(27)3)18-25(37)17-34-13-6-11-30(19-34)12-14-35(20-30)29-26(24-9-10-24)28(31)32-21-33-29/h5,7-8,21,24-25,37H,4,6,9-20H2,1-3H3,(H2,31,32,33)/t25-,30?/m0/s1
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| InChIKey |
BDOPKJRMCXOBQZ-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