General Information of the Compound
| Compound ID |
CP0383111
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| Compound Name |
CHEMBL1077365
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| Formula |
C36H55N5O4
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| Molecular Weight |
621.867
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| Canonical SMILES |
CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC2CC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C
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| InChI |
InChI=1S/C36H55N5O4/c1-4-5-6-29-22-41(19-26-7-9-31(10-8-26)44-32-11-12-32)35(43)45-36(29)13-15-39(16-14-36)30-17-27-20-40(21-28(27)18-30)34(42)33-24(2)37-23-38-25(33)3/h23,26-32H,4-22H2,1-3H3/t26-,27-,28+,29-,30?,31-/m0/s1
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| InChIKey |
LYAAJDWEBKWXCC-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