General Information of the Compound
| Compound ID |
CP0173383
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| Compound Name |
(3-((1R,4R,6R)-4-((5,6-difluoro-1H-benzo[d]imidazol-2-yl)(3-(4-methylpiperazin-1-yl)propyl)amino)bicyclo[4.1.0]heptan-1-yl)phenyl)methanol
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| Structure |
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| Formula |
C29H37F2N5O
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| Molecular Weight |
509.645
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| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CO)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
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| InChI |
InChI=1S/C29H37F2N5O/c1-34-10-12-35(13-11-34)8-3-9-36(28-32-26-16-24(30)25(31)17-27(26)33-28)23-6-7-29(18-22(29)15-23)21-5-2-4-20(14-21)19-37/h2,4-5,14,16-17,22-23,37H,3,6-13,15,18-19H2,1H3,(H,32,33)/t22-,23+,29+/m0/s1
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| InChIKey |
RKGAKQIZJDEHFX-QFWOEDSFSA-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