General Information of the Compound
| Compound ID |
CP0424394
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| Compound Name |
(E)-N-[1-[2-(dimethylamino)ethylamino]-2-methyl-1-oxopropan-2-yl]-4-[4-[[4-methoxy-2-propan-2-yl-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]-3-methylphenyl]-2,2-dimethylbut-3-enamide
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| Structure |
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| Formula |
C38H57N3O8
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| Molecular Weight |
683.887
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| Canonical SMILES |
COc1cc(C(C)C)c(Cc2ccc(\C=C\C(C)(C)C(=O)NC(C)(C)C(=O)NCCN(C)C)cc2C)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C38H57N3O8/c1-22(2)27-20-29(48-10)28(34-33(45)32(44)31(43)30(21-42)49-34)19-26(27)18-25-12-11-24(17-23(25)3)13-14-37(4,5)35(46)40-38(6,7)36(47)39-15-16-41(8)9/h11-14,17,19-20,22,30-34,42-45H,15-16,18,21H2,1-10H3,(H,39,47)(H,40,46)/b14-13+/t30-,31-,32+,33-,34+/m1/s1
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| InChIKey |
NLKATOLXXRSTBZ-KZQLAFBTSA-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