General Information of the Compound
| Compound ID |
CP0546008
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| Compound Name |
US9303015, 34
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| Structure |
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| Formula |
C30H27ClF3N5O3
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| Molecular Weight |
598.025
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| Canonical SMILES |
COCCN(C)c1nc2ccc(cc2c(Cl)c1Oc1ccccc1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C30H27ClF3N5O3/c1-38(13-14-41-3)28-27(42-21-7-5-4-6-8-21)26(31)22-15-19(9-11-23(22)37-28)29(40,25-17-35-18-39(25)2)20-10-12-24(36-16-20)30(32,33)34/h4-12,15-18,40H,13-14H2,1-3H3
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| InChIKey |
VNLMKCKJADGMDH-UHFFFAOYSA-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