General Information of the Compound
| Compound ID |
CP0494222
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| Compound Name |
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R,4aS,6aR,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,9,14a-hexamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylate
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| Formula |
C35H44N2O6
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| Molecular Weight |
588.745
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| Canonical SMILES |
Cc1cc(NC(=O)COC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(C)=C(O)C(=O)C=C6[C@]5(C)CC[C@@]4(C)[C@@H]3C2)no1
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| InChI |
InChI=1S/C35H44N2O6/c1-20-16-27(37-43-20)36-28(39)19-42-30(41)32(4)11-10-31(3)12-14-34(6)25-9-8-22-21(2)29(40)24(38)17-23(22)33(25,5)13-15-35(34,7)26(31)18-32/h8-9,16-17,26,40H,10-15,18-19H2,1-7H3,(H,36,37,39)/t26-,31-,32-,33+,34-,35+/m1/s1
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| InChIKey |
SUAARKOQFKFANC-JVIXZCSZSA-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