General Information of the Compound
| Compound ID |
CP0544582
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| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C35H44N6O3S
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| Molecular Weight |
628.843
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| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N(CNC2=O)c1ccccc1
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| InChI |
InChI=1S/C35H44N6O3S/c42-32(39-19-13-27(14-20-39)38-17-7-2-8-18-38)30(23-26-24-45-31-12-6-5-11-29(26)31)37-34(44)40-21-15-35(16-22-40)33(43)36-25-41(35)28-9-3-1-4-10-28/h1,3-6,9-12,24,27,30H,2,7-8,13-23,25H2,(H,36,43)(H,37,44)/t30-/m1/s1
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| InChIKey |
SEOYWDQOGDAFAG-SSEXGKCCSA-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