General Information of the Compound
| Compound ID |
CP0057471
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| Compound Name |
(5R,8R,10S,14S,17R)-17-[(2R,5S)-5,6-dihydroxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,15,16,17-octahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H48O3
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| Molecular Weight |
456.711
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| Canonical SMILES |
C[C@H](CC[C@H](O)C(C)(C)O)[C@H]1CC[C@@]2(C)C1=CC=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C
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| InChI |
InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-29(7)21(20)10-11-23-28(6)16-15-24(31)26(2,3)22(28)14-18-30(23,29)8/h10-11,19-20,22,25,32-33H,9,12-18H2,1-8H3/t19-,20-,22+,25+,28+,29+,30+/m1/s1
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| InChIKey |
OKSOIVLQNAAMNU-QXGHGRIXSA-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