General Information of the Compound
| Compound ID |
CP0576045
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| Compound Name |
2-ethyl-N-[3-[(E)-4-[2-(2-ethyl-5-methylpyrazole-3-carbonyl)imino-7-(3-hydroxypropoxy)-3-methylbenzimidazol-1-yl]but-2-enyl]-4-methoxy-1-methylbenzimidazol-2-ylidene]-5-methylpyrazole-3-carboxamide
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| Formula |
C38H46N10O5
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| Molecular Weight |
722.851
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| Canonical SMILES |
CCn1nc(C)cc1C(=O)\N=c1/n(C)c2cccc(OC)c2n1C\C=C\Cn1c2c(OCCCO)cccc2n(C)\c1=N/C(=O)c1cc(C)nn1CC
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| InChI |
InChI=1S/C38H46N10O5/c1-8-47-29(23-25(3)41-47)35(50)39-37-43(5)27-15-12-17-31(52-7)33(27)45(37)19-10-11-20-46-34-28(16-13-18-32(34)53-22-14-21-49)44(6)38(46)40-36(51)30-24-26(4)42-48(30)9-2/h10-13,15-18,23-24,49H,8-9,14,19-22H2,1-7H3/b11-10+,39-37+,40-38+
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| InChIKey |
OOXADUDDHAFXIG-BKMNWAGNSA-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