General Information of the Compound
| Compound ID |
CP0523562
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| Compound Name |
3-(2-(4-(3-benzyl-1-ethyl-1H-pyrazol-5-yl)piperidin-1-yl)-2-oxoethyl)-8-(4-tert-butylbenzoyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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| Structure |
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| Formula |
C43H52N6O3
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| Molecular Weight |
700.928
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| Canonical SMILES |
CCn1nc(Cc2ccccc2)cc1C1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C43H52N6O3/c1-5-49-38(29-36(44-49)28-32-12-8-6-9-13-32)33-20-24-45(25-21-33)39(50)30-47-31-48(37-14-10-7-11-15-37)43(41(47)52)22-26-46(27-23-43)40(51)34-16-18-35(19-17-34)42(2,3)4/h6-19,29,33H,5,20-28,30-31H2,1-4H3
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| InChIKey |
NIBVPKCUKUJSSR-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