General Information of the Compound
| Compound ID |
CP0518389
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| Compound Name |
1-(2-(8-(4-cyclohexylbenzoyl)-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 |
C38H51N5O4
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| Molecular Weight |
641.857
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| Canonical SMILES |
CCN(CC)C(=O)C1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C38H51N5O4/c1-3-39(4-2)36(46)32-14-11-23-41(26-32)34(44)27-42-28-43(33-15-9-6-10-16-33)38(37(42)47)21-24-40(25-22-38)35(45)31-19-17-30(18-20-31)29-12-7-5-8-13-29/h6,9-10,15-20,29,32H,3-5,7-8,11-14,21-28H2,1-2H3
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| InChIKey |
CTRHMYXPMQOMCF-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