General Information of the Compound
| Compound ID |
CP0739620
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| Compound Name |
trans-methyl 3-(5-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidenecarbamoyl)thiophen-2-yl)but-2-enoate
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| Structure |
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| Formula |
C28H27N5O5S
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| Molecular Weight |
545.621
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| Canonical SMILES |
COC(=O)/C=C(\C)c1ccc(C(=O)/N=c2\[nH]c3cc(N(C)C(=O)c4ccccc4)ccc3n2CCC(N)=O)s1
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| InChI |
InChI=1S/C28H27N5O5S/c1-17(15-25(35)38-3)22-11-12-23(39-22)26(36)31-28-30-20-16-19(9-10-21(20)33(28)14-13-24(29)34)32(2)27(37)18-7-5-4-6-8-18/h4-12,15-16H,13-14H2,1-3H3,(H2,29,34)(H,30,31,36)/b17-15+
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| InChIKey |
USQZWDHUDUNEHI-BMRADRMJSA-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