General Information of the Compound
| Compound ID |
CP0748623
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| Compound Name |
4-((1R,3s,5S,6r)-6-(1-(5-chloro-1H-benzo[d]imidazol-2-yl)propyl)bicyclo[3.1.0]hexan-3-yl)-6-fluoroquinoline
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| Formula |
C25H23ClFN3
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| Molecular Weight |
419.931
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| Canonical SMILES |
CCC(c1nc2cc(Cl)ccc2[nH]1)[C@H]1[C@@H]2C[C@@H](c3ccnc4ccc(F)cc34)C[C@@H]21
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| InChI |
InChI=1S/C25H23ClFN3/c1-2-16(25-29-22-5-3-14(26)11-23(22)30-25)24-19-9-13(10-20(19)24)17-7-8-28-21-6-4-15(27)12-18(17)21/h3-8,11-13,16,19-20,24H,2,9-10H2,1H3,(H,29,30)/t13-,16?,19-,20+,24+
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| InChIKey |
MPTQHRCGXTZZGU-ZIPGTUKPSA-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