General Information of the Compound
| Compound ID |
CP0041227
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| Compound Name |
(5R,8S,9S,10S,14R)-17-[(2R,4S,5R)-4,5-dihydroxy-6-methylhept-6-en-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 |
C30H44O4
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| Molecular Weight |
468.678
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| Canonical SMILES |
C[C@H](C[C@H](O)[C@H](O)C(C)=C)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/C30H44O4/c1-17(2)26(34)20(31)15-18(3)25-19-9-10-23-28(6)13-12-24(33)27(4,5)22(28)11-14-29(23,7)30(19,8)16-21(25)32/h9-10,18,20,22-23,26,31,34H,1,11-16H2,2-8H3/t18-,20+,22+,23+,26-,28+,29+,30+/m1/s1
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| InChIKey |
MPDDCFALNXXKHF-AJFHEMKZSA-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