General Information of the Compound
| Compound ID |
CP0875219
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| Compound Name |
(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-17-(1H-1,2,3-triazol-1-yl)-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
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| Structure |
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| Formula |
C23H33N3O2
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| Molecular Weight |
383.536
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(n4ccnn4)=CC[C@@H]32)C1
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| InChI |
InChI=1S/C23H33N3O2/c1-15(27)28-17-8-10-22(2)16(14-17)4-5-18-19-6-7-21(26-13-12-24-25-26)23(19,3)11-9-20(18)22/h7,12-13,16-20H,4-6,8-11,14H2,1-3H3/t16-,17-,18-,19-,20-,22-,23-/m0/s1
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| InChIKey |
ZFYRZTGOPCUGHG-HKZQYKGFSA-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