General Information of the Compound
| Compound ID |
CP0504595
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| Compound Name |
5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2H-pyran-4-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl)-5-methyloctahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile
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| Structure |
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| Formula |
C35H51N5O4
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| Molecular Weight |
605.824
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N
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| InChI |
InChI=1S/C35H51N5O4/c1-5-6-7-29-23-39(20-26-8-14-43-15-9-26)33(42)44-35(29)10-12-40(13-11-35)34(4)17-27-21-38(22-28(27)18-34)32(41)31-24(2)16-30(19-36)37-25(31)3/h16,26-29H,5-15,17-18,20-23H2,1-4H3/t27-,28+,29-,34?/m0/s1
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| InChIKey |
FFVDMIZCWCETSU-BDRHFOFLSA-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