General Information of the Compound
| Compound ID |
CP0951168
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| Compound Name |
((2R,4S)-4-(2-(Aminomethyl)-1H-imidazol-1-yl)-2-(1-benzyl-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)(1H-pyrrolo[2,3-b]pyridin-5-yl)methanone
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| Structure |
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| Formula |
C30H28N8O
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| Molecular Weight |
516.609
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| Canonical SMILES |
NCc1nccn1[C@H]1C[C@H](c2nc3ccccc3n2Cc2ccccc2)N(C(=O)c2cnc3[nH]ccc3c2)C1
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| InChI |
InChI=1S/C30H28N8O/c31-16-27-32-12-13-36(27)23-15-26(38(19-23)30(39)22-14-21-10-11-33-28(21)34-17-22)29-35-24-8-4-5-9-25(24)37(29)18-20-6-2-1-3-7-20/h1-14,17,23,26H,15-16,18-19,31H2,(H,33,34)/t23-,26+/m0/s1
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| InChIKey |
KQGVGWAIXJGROB-JYFHCDHNSA-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