General Information of the Compound
| Compound ID |
CP0216337
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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]-4-fluoro-2-methylbenzenesulfonamide
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| Structure |
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| Formula |
C25H35FN6O3S
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| Molecular Weight |
518.659
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| Canonical SMILES |
Cc1cc(F)ccc1S(=O)(=O)NC[C@@H](O)CN1CCC[C@@]2(CCN(C2)c2ncnc(N)c2C2CC2)C1
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| InChI |
InChI=1S/C25H35FN6O3S/c1-17-11-19(26)5-6-21(17)36(34,35)30-12-20(33)13-31-9-2-7-25(14-31)8-10-32(15-25)24-22(18-3-4-18)23(27)28-16-29-24/h5-6,11,16,18,20,30,33H,2-4,7-10,12-15H2,1H3,(H2,27,28,29)/t20-,25-/m1/s1
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| InChIKey |
HEZMJSCHVVUMNQ-CJFMBICVSA-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