General Information of the Compound
| Compound ID |
CP0216308
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| Compound Name |
N-[(2S)-3-[2-(5-cyclopropylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]-2-hydroxypropyl]-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C30H45N5O4S
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| Molecular Weight |
571.788
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| Canonical SMILES |
CCOCCN(C[C@@H](O)CN1CCCC2(CCN(C2)c2ncncc2C2CC2)C1)S(=O)(=O)c1c(C)cccc1C
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| InChI |
InChI=1S/C30H45N5O4S/c1-4-39-16-15-35(40(37,38)28-23(2)7-5-8-24(28)3)19-26(36)18-33-13-6-11-30(20-33)12-14-34(21-30)29-27(25-9-10-25)17-31-22-32-29/h5,7-8,17,22,25-26,36H,4,6,9-16,18-21H2,1-3H3/t26-,30?/m0/s1
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| InChIKey |
MMCGENFUFLRCPV-PKMDPOOCSA-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