General Information of the Compound
| Compound ID |
CP0428997
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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]-2-cyclohexyl-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
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| Structure |
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| Formula |
C35H48N6O3S
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| Molecular Weight |
632.875
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| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N=C(NC2=O)C1CCCCC1
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| InChI |
InChI=1S/C35H48N6O3S/c42-32(40-19-13-27(14-20-40)39-17-7-2-8-18-39)29(23-26-24-45-30-12-6-5-11-28(26)30)36-34(44)41-21-15-35(16-22-41)33(43)37-31(38-35)25-9-3-1-4-10-25/h5-6,11-12,24-25,27,29H,1-4,7-10,13-23H2,(H,36,44)(H,37,38,43)/t29-/m1/s1
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| InChIKey |
GIQVCZVUJSCCTL-GDLZYMKVSA-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