General Information of the Compound
| Compound ID |
CP0523418
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| Compound Name |
1-(2-(8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetyl)-N,N-diethylpiperidine-3-carboxamide
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| Structure |
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| Formula |
C36H49N5O4
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| Molecular Weight |
615.819
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| Canonical SMILES |
CCN(CC)C(=O)C1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C36H49N5O4/c1-6-37(7-2)33(44)28-12-11-21-39(24-28)31(42)25-40-26-41(30-13-9-8-10-14-30)36(34(40)45)19-22-38(23-20-36)32(43)27-15-17-29(18-16-27)35(3,4)5/h8-10,13-18,28H,6-7,11-12,19-26H2,1-5H3
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| InChIKey |
LTYDHRYFRLILRV-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