General Information of the Compound
| Compound ID |
CP0388365
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| Compound Name |
3alpha-isocyanato-1-isopropenyl-5alpha,5beta,8,8,11alpha-pentamethylicosahydro-1H-cyclopenta[a]chrysen-9-ol
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| Structure |
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| Formula |
C30H47NO2
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| Molecular Weight |
453.711
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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)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)N=C=O
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| InChI |
InChI=1S/C30H47NO2/c1-19(2)20-10-15-30(31-18-32)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(33)26(3,4)22(27)11-14-29(23,28)7/h20-25,33H,1,8-17H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30-/m0/s1
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| InChIKey |
ZASTUVDSCXZBSR-KAAKTMSKSA-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