General Information of the Compound
| Compound ID |
CP0110906
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| Compound Name |
5,6-difluoro-N-(3-(4-methylpiperazin-1-yl)propyl)-N-((1R,3R,6R)-6-(3-(piperidin-1-ylmethyl)phenyl)bicyclo[4.1.0]heptan-3-yl)-1H-benzo[d]imidazol-2-amine
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| Structure |
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| Formula |
C34H46F2N6
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| Molecular Weight |
576.78
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| Canonical SMILES |
CN1CCN(CCCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(CN3CCCCC3)c2)c2nc3cc(F)c(F)cc3[nH]2)CC1
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| InChI |
InChI=1S/C34H46F2N6/c1-39-15-17-40(18-16-39)13-6-14-42(33-37-31-21-29(35)30(36)22-32(31)38-33)28-9-10-34(23-27(34)20-28)26-8-5-7-25(19-26)24-41-11-3-2-4-12-41/h5,7-8,19,21-22,27-28H,2-4,6,9-18,20,23-24H2,1H3,(H,37,38)/t27-,28+,34+/m0/s1
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| InChIKey |
MHCFNPUPBDQPNI-HBVNVMGMSA-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