General Information of the Compound
| Compound ID |
CP0903686
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| Compound Name |
9-benzyl-3-sec-butyl-5,6-dimethyl-2,3,5,6,8,9,12,13,14,15-decahydro-1H-benzo[l][1,4,7,10]tetraazacycloheptadecine-4,7,10(11H)-trione
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| Structure |
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| Formula |
C30H42N4O3
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| Molecular Weight |
506.691
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| Canonical SMILES |
CCC(C)C1NCc2ccccc2CCCCNC(=O)C(Cc2ccccc2)NC(=O)C(C)N(C)C1=O
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| InChI |
InChI=1S/C30H42N4O3/c1-5-21(2)27-30(37)34(4)22(3)28(35)33-26(19-23-13-7-6-8-14-23)29(36)31-18-12-11-16-24-15-9-10-17-25(24)20-32-27/h6-10,13-15,17,21-22,26-27,32H,5,11-12,16,18-20H2,1-4H3,(H,31,36)(H,33,35)
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| InChIKey |
FHULYONJTIYIJE-UHFFFAOYSA-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