General Information of the Compound
| Compound ID |
CP0538500
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| Compound Name |
CHEMBL377242
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| Formula |
C27H30F6N2O2
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| Molecular Weight |
528.537
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| Canonical SMILES |
C[C@@H](OC[C@]1(C[C@](N)(C1)C(=O)N1CCCCC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H30F6N2O2/c1-18(19-12-21(26(28,29)30)14-22(13-19)27(31,32)33)37-17-24(20-8-4-2-5-9-20)15-25(34,16-24)23(36)35-10-6-3-7-11-35/h2,4-5,8-9,12-14,18H,3,6-7,10-11,15-17,34H2,1H3/t18-,24-,25+/m1/s1
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| InChIKey |
WBCFUQRECRQFHU-XYHYBEPMSA-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