General Information of the Compound
| Compound ID |
CP0862101
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| Compound Name |
SID17510315
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| Structure |
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| Formula |
C27H29FN4O3
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| Molecular Weight |
476.552
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| Canonical SMILES |
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(CN3CCN(c4ccc(F)cc4)CC3)c2)cc1
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| InChI |
InChI=1S/C27H29FN4O3/c1-34-25-10-4-21(5-11-25)27(33)30-29-18-20-3-12-26(35-2)22(17-20)19-31-13-15-32(16-14-31)24-8-6-23(28)7-9-24/h3-12,17-18H,13-16,19H2,1-2H3,(H,30,33)/b29-18+
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| InChIKey |
CZKIOWZAMJGHRB-RDRPBHBLSA-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