General Information of the Compound
| Compound ID |
CP0553294
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| Compound Name |
2-[(2E)-2-[[6-fluoro-2-methyl-5-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1H-indol-3-yl]methylidene]hydrazinyl]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
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| Formula |
C30H29F2N7O2S
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| Molecular Weight |
589.672
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| Canonical SMILES |
Cc1[nH]c2cc(F)c(cc2c1\C=N\Nc1nc(c(s1)C#N)-c1ccc(F)cc1)N1CCC(CC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C30H29F2N7O2S/c1-18-23(17-34-37-30-36-28(27(16-33)42-30)19-2-4-21(31)5-3-19)22-14-26(24(32)15-25(22)35-18)38-8-6-20(7-9-38)29(40)39-10-12-41-13-11-39/h2-5,14-15,17,20,35H,6-13H2,1H3,(H,36,37)/b34-17+
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| InChIKey |
ZARRRYJLAUMVRN-KVAAJVFYSA-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