General Information of the Compound
| Compound ID |
CP0895707
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| Compound Name |
3-fluoro-5-((8R,9S,10R,13S,14S)-3-fluoro-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
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| Structure |
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| Formula |
C24H29F2N
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| Molecular Weight |
369.499
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| Canonical SMILES |
C[C@]12CCC(F)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cncc(F)c3)=CC[C@@H]12
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| InChI |
InChI=1S/C24H29F2N/c1-23-9-7-17(25)12-16(23)3-4-19-21-6-5-20(15-11-18(26)14-27-13-15)24(21,2)10-8-22(19)23/h3,5,11,13-14,17,19,21-22H,4,6-10,12H2,1-2H3/t17?,19-,21-,22-,23-,24+/m0/s1
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| InChIKey |
JTENITBMRQBARH-URQUHQSKSA-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