General Information of the Compound
| Compound ID |
CP0381137
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| Compound Name |
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3-hydroxylup-20(29)-en-28-oate
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| Structure |
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| Formula |
C39H53NO5
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| Molecular Weight |
615.855
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(=O)OCN1C(=O)c2ccccc2C1=O
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| InChI |
InChI=1S/C39H53NO5/c1-23(2)24-14-19-39(34(44)45-22-40-32(42)25-10-8-9-11-26(25)33(40)43)21-20-37(6)27(31(24)39)12-13-29-36(5)17-16-30(41)35(3,4)28(36)15-18-38(29,37)7/h8-11,24,27-31,41H,1,12-22H2,2-7H3/t24-,27+,28-,29+,30-,31+,36-,37+,38+,39-/m0/s1
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| InChIKey |
KFRNRFJPRHEQHY-AAFVLQQKSA-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