General Information of the Compound
| Compound ID |
CP0373985
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| Compound Name |
CHEMBL1077362
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| Formula |
C35H55N5O4
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| Molecular Weight |
609.856
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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)ncnc1C
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| InChI |
InChI=1S/C35H55N5O4/c1-5-7-8-29-22-40(19-26-9-11-31(12-10-26)43-6-2)34(42)44-35(29)13-15-38(16-14-35)30-17-27-20-39(21-28(27)18-30)33(41)32-24(3)36-23-37-25(32)4/h23,26-31H,5-22H2,1-4H3/t26-,27-,28+,29-,30?,31-/m0/s1
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| InChIKey |
WUFYAXDQCFEDPG-CXYSXKLLSA-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