General Information of the Compound
| Compound ID |
CP0453665
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-((1R,3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea
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| Structure |
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| Formula |
C29H35ClFN5O
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| Molecular Weight |
524.084
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| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C29H35ClFN5O/c1-34-12-14-35(15-13-34)10-3-11-36(28(37)33-24-6-7-27(31)26(30)18-24)25-8-9-29(19-23(29)17-25)22-5-2-4-21(16-22)20-32/h2,4-7,16,18,23,25H,3,8-15,17,19H2,1H3,(H,33,37)/t23-,25+,29+/m0/s1
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| InChIKey |
HLFHVXOJWTYKGT-ZLZBJJAKSA-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