General Information of the Compound
| Compound ID |
CP0463772
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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-3-yl]methyl]carbamate
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| Structure |
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| Formula |
C39H53N5O5
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| Molecular Weight |
671.883
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| Canonical SMILES |
CC(C)(C)OC(=O)NCC1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C39H53N5O5/c1-38(2,3)49-37(48)40-25-29-11-10-22-42(26-29)34(45)27-43-28-44(33-14-8-5-9-15-33)39(36(43)47)20-23-41(24-21-39)35(46)32-18-16-31(17-19-32)30-12-6-4-7-13-30/h5,8-9,14-19,29-30H,4,6-7,10-13,20-28H2,1-3H3,(H,40,48)
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| InChIKey |
ATVBIUUWKNUTRX-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