General Information of the Compound
| Compound ID |
CP0891043
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| Compound Name |
(5beta,8apha,14beta,18beta,19beta)-3-[(Pent-4-enoyloxy)imino]lup-20(29)-en-28-oic Acid
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| Structure |
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| Formula |
C35H53NO4
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| Molecular Weight |
551.812
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| Canonical SMILES |
C=CCCC(=O)O/N=C1\CC[C@]2(C)[C@H]3CC[C@@H]4[C@H]5[C@H](C(=C)C)CC[C@]5(C(=O)O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C
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| InChI |
InChI=1S/C35H53NO4/c1-9-10-11-28(37)40-36-27-16-17-32(6)25(31(27,4)5)15-18-34(8)26(32)13-12-24-29-23(22(2)3)14-19-35(29,30(38)39)21-20-33(24,34)7/h9,23-26,29H,1-2,10-21H2,3-8H3,(H,38,39)/b36-27+/t23-,24+,25-,26+,29+,32-,33+,34+,35-/m0/s1
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| InChIKey |
ODDMEBWLKJAOML-GKGHUJGKSA-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