General Information of the Compound
| Compound ID |
CP0446956
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| Compound Name |
CHEMBL2024523
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| Formula |
C21H33ClN4O
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| Molecular Weight |
392.975
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| Canonical SMILES |
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2)CC1
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| InChI |
InChI=1S/C21H33ClN4O/c1-24(2)21(27)23-19-8-6-17(7-9-19)10-11-25-12-14-26(15-13-25)20-5-3-4-18(22)16-20/h3-5,16-17,19H,6-15H2,1-2H3,(H,23,27)/t17-,19-
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| InChIKey |
YSBQONTVTTYPQN-UAPYVXQJSA-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