General Information of the Compound
| Compound ID |
CP0479650
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| Compound Name |
2-chloro-N-(cyclopropylmethyl)-5-[5-[(Z)-[1-[3-(cyclopropylmethylcarbamoyl)phenyl]-3-methyl-5-oxopyrazol-4-ylidene]methyl]furan-2-yl]benzamide
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| Structure |
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| Formula |
C31H29ClN4O4
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| Molecular Weight |
557.05
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(Cl)c(c1)C(=O)NCC1CC1)c1cccc(c1)C(=O)NCC1CC1
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| InChI |
InChI=1S/C31H29ClN4O4/c1-18-25(31(39)36(35-18)23-4-2-3-22(13-23)29(37)33-16-19-5-6-19)15-24-10-12-28(40-24)21-9-11-27(32)26(14-21)30(38)34-17-20-7-8-20/h2-4,9-15,19-20H,5-8,16-17H2,1H3,(H,33,37)(H,34,38)/b25-15-
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| InChIKey |
YRUGVGYEUQBDGU-MYYYXRDXSA-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