General Information of the Compound
| Compound ID |
CP0488068
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| Compound Name |
(5R,8S,9S,10S,14R)-17-[(2R)-1-[(4S,5R)-5-(2-hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,14-pentamethyl-2,5,6,7,9,15-hexahydro-1H-cyclopenta[a]phenanthrene-3,16-dione
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| Structure |
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| Formula |
C33H50O5
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| Molecular Weight |
526.758
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| Canonical SMILES |
C[C@H](C[C@@H]1OC(C)(C)O[C@H]1C(C)(C)O)C1=C2C=C[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1=O
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| InChI |
InChI=1S/C33H50O5/c1-19(17-22-27(29(4,5)36)38-30(6,7)37-22)26-20-11-12-24-31(8)15-14-25(35)28(2,3)23(31)13-16-32(24,9)33(20,10)18-21(26)34/h11-12,19,22-24,27,36H,13-18H2,1-10H3/t19-,22+,23+,24+,27-,31+,32+,33+/m1/s1
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| InChIKey |
GLBXEFQLDISSQZ-SOZOVYBNSA-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