General Information of the Compound
| Compound ID |
CP0546067
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| Compound Name |
(3E,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-[(2-methylphenyl)hydrazinylidene]-17-[(2R)-2,6,6-trimethyloxan-2-yl]-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-12-ol
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| Formula |
C37H58N2O2
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| Molecular Weight |
562.883
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| Canonical SMILES |
Cc1ccccc1N\N=C1/CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C[C@@H](O)[C@@H]2[C@H](CC[C@@]32C)[C@@]2(C)CCCC(C)(C)O2)C1(C)C
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| InChI |
InChI=1S/C37H58N2O2/c1-24-13-10-11-14-26(24)38-39-30-17-20-34(6)28(33(30,4)5)16-22-35(7)29(34)23-27(40)31-25(15-21-36(31,35)8)37(9)19-12-18-32(2,3)41-37/h10-11,13-14,25,27-29,31,38,40H,12,15-23H2,1-9H3/b39-30+/t25-,27+,28-,29+,31-,34-,35+,36+,37+/m0/s1
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| InChIKey |
KTIPQWXRWHHTFZ-DLNZCGFQSA-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