General Information of the Compound
| Compound ID |
CP0347340
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| Compound Name |
CHEMBL3037921
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| Formula |
C32H34FN7O
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| Molecular Weight |
551.67
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| Canonical SMILES |
CCOc1cc(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/C32H34FN7O/c1-3-41-26-19-25(20-7-5-4-6-8-20)36-28-23(26)9-10-24(27(28)33)29-30-31(34)35-11-12-40(30)32(37-29)21-17-22(18-21)39-15-13-38(2)14-16-39/h4-12,19,21-22H,3,13-18H2,1-2H3,(H2,34,35)/t21-,22+
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| InChIKey |
TUIQQIYXOKRSAE-SZPZYZBQSA-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