General Information of the Compound
| Compound ID |
CP0571626
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| Compound Name |
[(Z)-[(2E,5R,8R,9R,10R,12R,13R,14R,17S)-12-hydroxy-4,4,8,10,14-pentamethyl-2-[(4-methylphenyl)methylidene]-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]urea
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| Formula |
C39H59N3O3
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| Molecular Weight |
617.919
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| Canonical SMILES |
Cc1ccc(\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)=O)cc1
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| InChI |
InChI=1S/C39H59N3O3/c1-24-11-13-25(14-12-24)21-26-23-36(6)29(35(4,5)32(26)41-42-33(40)44)16-20-37(7)30(36)22-28(43)31-27(15-19-38(31,37)8)39(9)18-10-17-34(2,3)45-39/h11-14,21,27-31,43H,10,15-20,22-23H2,1-9H3,(H3,40,42,44)/b26-21+,41-32+/t27-,28+,29-,30+,31-,36-,37+,38+,39+/m0/s1
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| InChIKey |
QQRZWCNIUCYKNF-ZVKBLICTSA-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