General Information of the Compound
| Compound ID |
CP0550348
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| Compound Name |
tert-butyl N-[3-[6-carbamoyl-3-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-7-methoxybenzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-4-yl]oxypropyl]carbamate
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| Structure |
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| Formula |
C43H53N13O8
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| Molecular Weight |
879.98
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O
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| InChI |
InChI=1S/C43H53N13O8/c1-9-55-30(18-24(3)51-55)38(59)49-40-47-28-20-26(36(44)57)22-32(62-8)34(28)53(40)15-11-12-16-54-35-29(48-41(54)50-39(60)31-19-25(4)52-56(31)10-2)21-27(37(45)58)23-33(35)63-17-13-14-46-42(61)64-43(5,6)7/h11-12,18-23H,9-10,13-17H2,1-8H3,(H2,44,57)(H2,45,58)(H,46,61)(H,47,49,59)(H,48,50,60)/b12-11+
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| InChIKey |
PIYRZERUGHECIE-VAWYXSNFSA-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