General Information of the Compound
| Compound ID |
CP0202906
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| Compound Name |
1-[(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-3-cyclopropylprop-2-yn-1-one
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| Structure |
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| Formula |
C29H35F3N4O4
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| Molecular Weight |
560.617
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(=O)C#CC1CC1
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| InChI |
InChI=1S/C29H35F3N4O4/c1-39-25-16-40-9-7-24(25)34-22-11-21-15-36(26(37)5-4-18-2-3-18)17-28(21,12-22)27(38)35-8-6-23-19(14-35)10-20(13-33-23)29(30,31)32/h10,13,18,21-22,24-25,34H,2-3,6-9,11-12,14-17H2,1H3/t21-,22+,24?,25?,28-/m0/s1
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| InChIKey |
XZFMIXOYYQQSNY-CRLZEWBKSA-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