General Information of the Compound
| Compound ID |
CP0888462
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| Compound Name |
(3S,5S,8R,9S,10S,13S)-17-(1H-imidazol-1-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Structure |
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| Formula |
C22H30N2O
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| Molecular Weight |
338.495
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)C1=CC=C2n1ccnc1
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| InChI |
InChI=1S/C22H30N2O/c1-21-9-7-16(25)13-15(21)3-4-17-18-5-6-20(24-12-11-23-14-24)22(18,2)10-8-19(17)21/h5-6,11-12,14-17,19,25H,3-4,7-10,13H2,1-2H3/t15-,16-,17-,19-,21-,22-/m0/s1
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| InChIKey |
WXFKLNMJCQPMSE-VBWHVVDUSA-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