General Information of the Compound
| Compound ID |
CP0578628
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| Compound Name |
tert-butyl 4-[4-[4-(4-benzylphenyl)-9H-pyrido[2,3-b]indol-6-yl]phenyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C39H38N4O2
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| Molecular Weight |
594.759
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(-c4ccc(Cc5ccccc5)cc4)c3c2c1
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| InChI |
InChI=1S/C39H38N4O2/c1-39(2,3)45-38(44)43-23-21-42(22-24-43)32-16-13-29(14-17-32)31-15-18-35-34(26-31)36-33(19-20-40-37(36)41-35)30-11-9-28(10-12-30)25-27-7-5-4-6-8-27/h4-20,26H,21-25H2,1-3H3,(H,40,41)
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| InChIKey |
RCABFTYLXOIPID-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