General Information of the Compound
| Compound ID |
CP0449161
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| Compound Name |
(2S,4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
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| Structure |
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| Formula |
C25H42O3
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| Molecular Weight |
390.608
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| Canonical SMILES |
C[C@H](C[C@H](C)C(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C25H42O3/c1-15(13-16(2)23(27)28)20-7-8-21-19-6-5-17-14-18(26)9-11-24(17,3)22(19)10-12-25(20,21)4/h15-22,26H,5-14H2,1-4H3,(H,27,28)/t15-,16+,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
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| InChIKey |
DNTJEWIAGFGJKP-DCOQOMBNSA-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