General Information of the Compound
| Compound ID |
CP0522781
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| Compound Name |
CHEMBL506788
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| Formula |
C35H49N5O
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| Molecular Weight |
555.811
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| Canonical SMILES |
CC(C)N(C(C)C)C(=O)N1CCC(CCN2[C@H]3CC[C@@H]2C[C@@H](C3)n2c(C)nc3ccccc23)(CC1)c1ccccc1
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| InChI |
InChI=1S/C35H49N5O/c1-25(2)39(26(3)4)34(41)37-20-17-35(18-21-37,28-11-7-6-8-12-28)19-22-38-29-15-16-30(38)24-31(23-29)40-27(5)36-32-13-9-10-14-33(32)40/h6-14,25-26,29-31H,15-24H2,1-5H3/t29-,30+,31+
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| InChIKey |
ODTAMWROBLPBMJ-YHTXFFTCSA-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