General Information of the Compound
| Compound ID |
CP0873406
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| Compound Name |
(5aR,5bS,7aS,10bR)-8-(5-fluoropyridin-3-yl)-5a,7a-dimethyl-3,4,5,5a,5b,6,7,7a,11,12-decahydrocyclopenta[5,6]naphtho[1,2-d]azepin-2(10bH)-one
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| Structure |
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| Formula |
C24H27FN2O
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| Molecular Weight |
378.491
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)C1=CC=C2c1cncc(F)c1
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| InChI |
InChI=1S/C24H27FN2O/c1-23-9-10-27-22(28)12-16(23)3-4-18-20-6-5-19(15-11-17(25)14-26-13-15)24(20,2)8-7-21(18)23/h5-6,11-14,18,21H,3-4,7-10H2,1-2H3,(H,27,28)/t18-,21-,23-,24+/m0/s1
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| InChIKey |
UABZHCUSQCFDRP-INDWIESVSA-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