General Information of the Compound
| Compound ID |
CP0532986
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| Compound Name |
(1S,3aS,5aR,5bS,7aR,9R,11aR,11bS,13aS,13bR)-9-hydroxy-5b,8,8,11a-tetramethyl-1-propan-2-yl-2,3,4,5,5a,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
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| Structure |
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| Formula |
C29H48O3
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| Molecular Weight |
444.7
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@]2(CC[C@@H]3[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]43C)[C@@H]12)C(O)=O
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| InChI |
InChI=1S/C29H48O3/c1-17(2)18-9-15-29(25(31)32)16-10-20-19(24(18)29)7-8-22-27(20,5)13-11-21-26(3,4)23(30)12-14-28(21,22)6/h17-24,30H,7-16H2,1-6H3,(H,31,32)/t18-,19-,20+,21-,22-,23+,24+,27-,28-,29-/m0/s1
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| InChIKey |
YCGBOWDFUSOLSM-TVBZACQLSA-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