General Information of the Compound
| Compound ID |
CP0442384
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| Compound Name |
1-[(1S,2R,5S)-5-(4-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(3-piperazin-1-ylpropyl)urea
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| Structure |
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| Formula |
C28H31F4N5O
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| Molecular Weight |
529.582
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCCN2CCNCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2ccc(cc2)C#N)cc1C(F)(F)F
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| InChI |
InChI=1S/C28H31F4N5O/c29-24-7-6-21(16-22(24)28(30,31)32)35-26(38)37(13-1-12-36-14-10-34-11-15-36)25-8-9-27(17-23(25)27)20-4-2-19(18-33)3-5-20/h2-7,16,23,25,34H,1,8-15,17H2,(H,35,38)/t23-,25-,27-/m1/s1
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| InChIKey |
DQAUVQWGUDFZKV-DFZDUAMZSA-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