General Information of the Compound
| Compound ID |
CP0172476
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| Compound Name |
(8R,9S,10S,13S,14S,17S)-3,13,17-trimethyl-10-vinyl-2,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
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| Structure |
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| Formula |
C22H32O
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| Molecular Weight |
312.497
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| Canonical SMILES |
CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C
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| InChI |
InChI=1S/C22H32O/c1-5-22-13-8-15(2)14-16(22)6-7-17-18-10-12-21(4,23)20(18,3)11-9-19(17)22/h5-6,14,17-19,23H,1,7-13H2,2-4H3/t17-,18-,19-,20-,21-,22-/m0/s1
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| InChIKey |
NTNDJRSCZSSPDU-WLNPFYQQSA-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