General Information of the Compound
| Compound ID |
CP0524592
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| Compound Name |
CHEMBL3401685
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| Formula |
C30H40N4O3
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| Molecular Weight |
504.675
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2)c1ccc(cc1)C(C)(C)O
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| InChI |
InChI=1S/C30H40N4O3/c1-19-18-33(24-9-7-23(8-10-24)29(2,3)36)11-12-34(19)26-6-4-5-25(31-26)28(35)32-27-21-13-20-14-22(27)17-30(37,15-20)16-21/h4-10,19-22,27,36-37H,11-18H2,1-3H3,(H,32,35)/t19-,20?,21?,22?,27-,30-/m1/s1
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| InChIKey |
MFRDWNHZMWWHID-HXJLLXCMSA-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