General Information of the Compound
| Compound ID |
CP0571625
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| Compound Name |
(3E,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-3-[(3-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 |
Cc1cccc(N\N=C2/CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@H]3[C@H](CC[C@@]43C)[C@@]3(C)CCCC(C)(C)O3)C2(C)C)c1
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| InChI |
InChI=1S/C37H58N2O2/c1-24-12-10-13-25(22-24)38-39-30-16-19-34(6)28(33(30,4)5)15-21-35(7)29(34)23-27(40)31-26(14-20-36(31,35)8)37(9)18-11-17-32(2,3)41-37/h10,12-13,22,26-29,31,38,40H,11,14-21,23H2,1-9H3/b39-30+/t26-,27+,28-,29+,31-,34-,35+,36+,37+/m0/s1
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| InChIKey |
BAGXJOLLCUZAGT-IJMUJFHTSA-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