General Information of the Compound
| Compound ID |
CP0286005
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| Compound Name |
CHEMBL3037922
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| Formula |
C33H36FN7O
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| Molecular Weight |
565.697
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| Canonical SMILES |
CC(C)Oc1cc(nc2c(F)c(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1
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| InChI |
InChI=1S/C33H36FN7O/c1-20(2)42-27-19-26(21-7-5-4-6-8-21)37-29-24(27)9-10-25(28(29)34)30-31-32(35)36-11-12-41(31)33(38-30)22-17-23(18-22)40-15-13-39(3)14-16-40/h4-12,19-20,22-23H,13-18H2,1-3H3,(H2,35,36)/t22-,23+
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| InChIKey |
BTFIGOTWBHFEOU-ZRZAMGCNSA-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