General Information of the Compound
| Compound ID |
CP0216277
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| Compound Name |
N-[(2S)-3-[(5R)-2-(6-amino-5-cyclopropylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
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| Structure |
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| Formula |
C26H38N6O3S
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| Molecular Weight |
514.696
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| Canonical SMILES |
Cc1cccc(C)c1S(=O)(=O)NC[C@@H](O)CN1CCC[C@@]2(CCN(C2)c2ncnc(N)c2C2CC2)C1
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| InChI |
InChI=1S/C26H38N6O3S/c1-18-5-3-6-19(2)23(18)36(34,35)30-13-21(33)14-31-11-4-9-26(15-31)10-12-32(16-26)25-22(20-7-8-20)24(27)28-17-29-25/h3,5-6,17,20-21,30,33H,4,7-16H2,1-2H3,(H2,27,28,29)/t21-,26-/m1/s1
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| InChIKey |
PFGJICLHMSNKCO-QFQXNSOFSA-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