General Information of the Compound
| Compound ID |
CP0418708
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| Compound Name |
CHEMBL3401668
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| Formula |
C27H34N4O3
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| Molecular Weight |
462.594
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C27H34N4O3/c1-34-22-7-5-21(6-8-22)30-9-11-31(12-10-30)24-4-2-3-23(28-24)26(32)29-25-19-13-18-14-20(25)17-27(33,15-18)16-19/h2-8,18-20,25,33H,9-17H2,1H3,(H,29,32)/t18?,19?,20?,25-,27-
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| InChIKey |
NYRVWYFBGAZFJF-CUFZNKPVSA-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