General Information of the Compound
| Compound ID |
CP0425384
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| Compound Name |
tert-butyl 4-[(3R)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C30H35N5O2
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| Molecular Weight |
497.643
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)C1N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C30H35N5O2/c1-30(2,3)37-29(36)35-15-13-20(14-16-35)26-27-22(21-11-7-8-12-23(21)32-27)17-24(33-26)28-31-18-25(34-28)19-9-5-4-6-10-19/h4-12,18,20,24,26,32-33H,13-17H2,1-3H3,(H,31,34)/t24-,26?/m1/s1
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| InChIKey |
NVCZJEBFHBWLRZ-RMVMEJTISA-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