General Information of the Compound
| Compound ID |
CP0479571
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| Compound Name |
(3S,10S,13R,14R,17R)-3,4,4,10,13,14-hexamethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene
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| Structure |
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| Formula |
C32H54
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| Molecular Weight |
438.784
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| Canonical SMILES |
CC(C)C(=C)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](C)C(C)(C)C1CC3
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| InChI |
InChI=1S/C32H54/c1-21(2)22(3)11-12-23(4)25-16-19-32(10)27-13-14-28-29(6,7)24(5)15-18-30(28,8)26(27)17-20-31(25,32)9/h21,23-25,28H,3,11-20H2,1-2,4-10H3/t23-,24+,25-,28?,30-,31-,32+/m1/s1
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| InChIKey |
KBHVSNYZPRMDBJ-PCBLTFNCSA-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