General Information of the Compound
| Compound ID |
CP0877945
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| Compound Name |
1-(5-((3-fluorodibenzo[b,e]oxepin-11(6H)-ylidene)methyl)-1-((7S,8aR)-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl)-1H-benzo[d]imidazol-2(3H)-ylidene)urea
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| Structure |
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| Formula |
C30H28FN5O3
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| Molecular Weight |
525.584
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| Canonical SMILES |
NC(=O)/N=c1/[nH]c2cc(/C=C3\c4ccccc4COc4cc(F)ccc43)ccc2n1[C@H]1C[C@@H]2COCCN2C1
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| InChI |
InChI=1S/C30H28FN5O3/c31-20-6-7-24-25(23-4-2-1-3-19(23)16-39-28(24)13-20)11-18-5-8-27-26(12-18)33-30(34-29(32)37)36(27)21-14-22-17-38-10-9-35(22)15-21/h1-8,11-13,21-22H,9-10,14-17H2,(H3,32,33,34,37)/b25-11+/t21-,22+/m0/s1
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| InChIKey |
SRHPFVKOJSFHKR-ORCGFQNDSA-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