General Information of the Compound
| Compound ID |
CP0402496
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| Compound Name |
4-{(E)-2-[({[2,4-Dichloro-3-(1-ethyl-2-methyl-1H-benzoimidazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-carbamoyl]-vinyl}-N-methyl-benzamide
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| Structure |
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| Formula |
C31H31Cl2N5O4
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| Molecular Weight |
608.526
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| Canonical SMILES |
CCn1c(C)nc2c(OCc3c(Cl)ccc(N(C)C(=O)CNC(=O)\C=C\c4ccc(cc4)C(=O)NC)c3Cl)cccc12
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| InChI |
InChI=1S/C31H31Cl2N5O4/c1-5-38-19(2)36-30-25(38)7-6-8-26(30)42-18-22-23(32)14-15-24(29(22)33)37(4)28(40)17-35-27(39)16-11-20-9-12-21(13-10-20)31(41)34-3/h6-16H,5,17-18H2,1-4H3,(H,34,41)(H,35,39)/b16-11+
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| InChIKey |
BYKZZMXPZYHALP-LFIBNONCSA-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