General Information of the Compound
| Compound ID |
CP0529433
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| Compound Name |
US8754099, 22
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| Structure |
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| Formula |
C30H30FN7O2
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| Molecular Weight |
539.615
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| Canonical SMILES |
COC1CC2C(C1)C2C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)c1nnc(C)o1
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| InChI |
InChI=1S/C30H30FN7O2/c1-14-21(31)8-9-23(33-14)25-13-32-28(35-25)24-12-20-17-6-4-5-7-22(17)34-27(20)30(36-24,29-38-37-15(2)40-29)26-18-10-16(39-3)11-19(18)26/h4-9,13,16,18-19,24,26,34,36H,10-12H2,1-3H3,(H,32,35)/t16?,18?,19?,24-,26?,30?/m1/s1
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| InChIKey |
XNXQXEOUZQFKHF-QAXVPUKQSA-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