General Information of the Compound
| Compound ID |
CP0647654
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| Compound Name |
trans-N-(1-(3-amino-3-oxopropyl)-5-(N-methylbenzamido)-1H-benzo[d]imidazol-2(3H)-ylidene)-5-(2-(pyrazin-2-yl)vinyl)thiophene-2-carboxamide
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| Structure |
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| Formula |
C29H25N7O3S
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| Molecular Weight |
551.632
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| Canonical SMILES |
CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(/C=C/c3cnccn3)s1)n2CCC(N)=O
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| InChI |
InChI=1S/C29H25N7O3S/c1-35(28(39)19-5-3-2-4-6-19)21-8-11-24-23(17-21)33-29(36(24)16-13-26(30)37)34-27(38)25-12-10-22(40-25)9-7-20-18-31-14-15-32-20/h2-12,14-15,17-18H,13,16H2,1H3,(H2,30,37)(H,33,34,38)/b9-7+
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| InChIKey |
HEGINKBXNHNCBA-VQHVLOKHSA-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