General Information of the Compound
| Compound ID |
CP0496739
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| Compound Name |
tert-butyl N-[1-[2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]piperidin-4-yl]carbamate
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| Structure |
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| Formula |
C38H51N5O5
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| Molecular Weight |
657.856
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| Canonical SMILES |
CC(C)(C)OC(=O)NC1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C38H51N5O5/c1-37(2,3)48-36(47)39-31-18-22-40(23-19-31)33(44)26-42-27-43(32-12-8-5-9-13-32)38(35(42)46)20-24-41(25-21-38)34(45)30-16-14-29(15-17-30)28-10-6-4-7-11-28/h5,8-9,12-17,28,31H,4,6-7,10-11,18-27H2,1-3H3,(H,39,47)
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| InChIKey |
QQUDGGAQOQUYHH-UHFFFAOYSA-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