General Information of the Compound
| Compound ID |
CP0385192
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| Compound Name |
[(3aS,5S,6aR)-5-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C23H32F3N5O4
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| Molecular Weight |
499.534
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| Canonical SMILES |
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCN(CC1)c1nccc(n1)C(F)(F)F
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| InChI |
InChI=1S/C23H32F3N5O4/c1-33-17-14-34-10-3-16(17)28-15-12-19-22(13-15,4-11-35-19)20(32)30-6-8-31(9-7-30)21-27-5-2-18(29-21)23(24,25)26/h2,5,15-17,19,28H,3-4,6-14H2,1H3/t15-,16+,17-,19-,22-/m1/s1
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| InChIKey |
KYIZQIPGHMGFDD-XQYWQHOKSA-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