General Information of the Compound
| Compound ID |
CP0505317
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| Compound Name |
(S)-3-((3S,4R)-1-(4,4-dimethyl-1,3-dioxo-1-(4-(2-(piperidin-1-yl)ethyl)piperidin-1-yl)pentan-2-yl)-2-oxo-4-((E)-styryl)azetidin-3-yl)-4-phenyloxazolidin-2-one
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| Structure |
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| Formula |
C39H50N4O5
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| Molecular Weight |
654.852
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| Canonical SMILES |
CC(C)(C)C(=O)[C@H](N1C(\C=C\c2ccccc2)[C@H](N2[C@@H](COC2=O)c2ccccc2)C1=O)C(=O)N1CCC(CCN2CCCCC2)CC1
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| InChI |
InChI=1S/C39H50N4O5/c1-39(2,3)35(44)34(36(45)41-25-20-29(21-26-41)19-24-40-22-11-6-12-23-40)42-31(18-17-28-13-7-4-8-14-28)33(37(42)46)43-32(27-48-38(43)47)30-15-9-5-10-16-30/h4-5,7-10,13-18,29,31-34H,6,11-12,19-27H2,1-3H3/b18-17+/t31?,32-,33-,34-/m0/s1
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| InChIKey |
PXNIRIADSDYIAW-QCFCQVQRSA-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