General Information of the Compound
| Compound ID |
CP0558380
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| Compound Name |
2-[(Z)-[(2E,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-2-[(4-methoxyphenyl)methylidene]-4,4,8,10,14-pentamethyl-17-[(2R)-2,6,6-trimethyloxan-2-yl]-5,6,7,9,11,12,13,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]guanidine
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| Formula |
C39H60N4O3
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| Molecular Weight |
632.934
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| Canonical SMILES |
COc1ccc(\C=C2/C[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)C(C)(C)/C/2=N/NC(N)=N)cc1
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| InChI |
InChI=1S/C39H60N4O3/c1-34(2)17-10-18-39(8,46-34)27-15-19-38(7)31(27)28(44)22-30-36(5)23-25(21-24-11-13-26(45-9)14-12-24)32(42-43-33(40)41)35(3,4)29(36)16-20-37(30,38)6/h11-14,21,27-31,44H,10,15-20,22-23H2,1-9H3,(H4,40,41,43)/b25-21+,42-32+/t27-,28+,29-,30+,31-,36-,37+,38+,39+/m0/s1
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| InChIKey |
GLGMFXYJYWQKOC-AIXZGNJPSA-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