General Information of the Compound
| Compound ID |
CP0429869
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| Compound Name |
CHEMBL1077363
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| Formula |
C36H56N4O4
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| Molecular Weight |
608.868
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| Canonical SMILES |
CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C
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| InChI |
InChI=1S/C36H56N4O4/c1-5-7-8-30-24-40(21-27-9-11-32(12-10-27)43-6-2)35(42)44-36(30)14-17-38(18-15-36)31-19-28-22-39(23-29(28)20-31)34(41)33-25(3)13-16-37-26(33)4/h13,16,27-32H,5-12,14-15,17-24H2,1-4H3/t27-,28-,29+,30-,31?,32-/m0/s1
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| InChIKey |
FTNQMTQRSJDRIK-WLROMLMPSA-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