General Information of the Compound
| Compound ID |
CP0241063
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| Compound Name |
(S)-2-((R)-2-(6-amino-5-cyclopropylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-7-yl)-1-((S)-1-(2,6-dimethylphenylsulfonyl)pyrrolidin-2-yl)ethanol
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| Structure |
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| Formula |
C29H42N6O3S
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| Molecular Weight |
554.761
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| Canonical SMILES |
Cc1cccc(C)c1S(=O)(=O)N1CCC[C@H]1[C@@H](O)CN1CCC[C@@]2(CCN(C2)c2ncnc(N)c2C2CC2)C1
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| InChI |
InChI=1S/C29H42N6O3S/c1-20-6-3-7-21(2)26(20)39(37,38)35-14-4-8-23(35)24(36)16-33-13-5-11-29(17-33)12-15-34(18-29)28-25(22-9-10-22)27(30)31-19-32-28/h3,6-7,19,22-24,36H,4-5,8-18H2,1-2H3,(H2,30,31,32)/t23-,24-,29+/m0/s1
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| InChIKey |
QLEXQCDQNMSBQO-NDIVSWGXSA-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