General Information of the Compound
| Compound ID |
CP0375553
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| Compound Name |
1-Isopropenyl-5alpha,5beta,8,8,11alpha-pentamethyloctadecahydrospiro-[cyclopenta[a]chrysene-9,20[1,3]dioxolane]-3alpha(1H)-carboxylicAcid
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| Structure |
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| Formula |
C32H50O4
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| Molecular Weight |
498.748
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC6(OCCO6)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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| InChI |
InChI=1S/C32H50O4/c1-20(2)21-10-13-31(26(33)34)16-15-29(6)22(25(21)31)8-9-24-28(5)14-17-32(35-18-19-36-32)27(3,4)23(28)11-12-30(24,29)7/h21-25H,1,8-19H2,2-7H3,(H,33,34)/t21-,22+,23-,24+,25+,28-,29+,30+,31-/m0/s1
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| InChIKey |
BNIDYMLULUVBAP-SRACOBAWSA-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