General Information of the Compound
| Compound ID |
CP0504593
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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)octahydrocyclopenta[c]pyrrole-2-carbonyl)-4,6-dimethylpicolinonitrile
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| Structure |
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| Formula |
C34H49N5O4
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| Molecular Weight |
591.797
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| Canonical SMILES |
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N
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| InChI |
InChI=1S/C34H49N5O4/c1-4-5-6-28-22-39(19-25-7-13-42-14-8-25)33(41)43-34(28)9-11-37(12-10-34)30-16-26-20-38(21-27(26)17-30)32(40)31-23(2)15-29(18-35)36-24(31)3/h15,25-28,30H,4-14,16-17,19-22H2,1-3H3/t26-,27+,28-,30?/m0/s1
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| InChIKey |
ZBPKKPLEISFHIZ-QTJAHOOZSA-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