General Information of the Compound
| Compound ID |
CP0562531
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| Compound Name |
(3'R,5R,5'S,8S,9S,10S,11S,14R,17R)-5'-[(1R)-1-hydroxy-2-methylprop-2-enyl]-11-methoxy-3',4,4,8,10,14-hexamethylspiro[2,5,6,7,9,11,15,16-octahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3-one
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| Structure |
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| Formula |
C31H48O4
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| Molecular Weight |
484.721
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| Canonical SMILES |
CO[C@H]1C=C2[C@](C)(CC[C@]22O[C@@H](C[C@H]2C)[C@H](O)C(C)=C)[C@@]2(C)CC[C@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]12
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| InChI |
InChI=1S/C31H48O4/c1-18(2)25(33)20-16-19(3)31(35-20)15-14-29(7)23(31)17-21(34-9)26-28(6)12-11-24(32)27(4,5)22(28)10-13-30(26,29)8/h17,19-22,25-26,33H,1,10-16H2,2-9H3/t19-,20+,21+,22+,25-,26+,28+,29+,30+,31-/m1/s1
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| InChIKey |
CVUFZTIWXNNXMH-MYXXBEFQSA-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