General Information of the Compound
| Compound ID |
CP0499550
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| Compound Name |
methyl 2-[[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]acetate
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| Structure |
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| Formula |
C29H36N4O5
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| Molecular Weight |
520.63
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| Canonical SMILES |
COC(=O)CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C29H36N4O5/c1-28(2,3)22-12-10-21(11-13-22)26(36)31-16-14-29(15-17-31)27(37)32(19-24(34)30-18-25(35)38-4)20-33(29)23-8-6-5-7-9-23/h5-13H,14-20H2,1-4H3,(H,30,34)
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| InChIKey |
XYCDEPJXULMTQT-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