General Information of the Compound
| Compound ID |
CP0538312
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| Compound Name |
N-[1-[[(1S)-1-(1-benzyltetrazol-5-yl)-2-naphthalen-2-ylethyl]carbamoyl]cyclohexyl]-1H-indole-3-carboxamide
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| Structure |
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| Formula |
C36H35N7O2
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| Molecular Weight |
597.723
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| Canonical SMILES |
O=C(NC1(CCCCC1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)c1nnnn1Cc1ccccc1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C36H35N7O2/c44-34(30-23-37-31-16-8-7-15-29(30)31)39-36(19-9-2-10-20-36)35(45)38-32(22-26-17-18-27-13-5-6-14-28(27)21-26)33-40-41-42-43(33)24-25-11-3-1-4-12-25/h1,3-8,11-18,21,23,32,37H,2,9-10,19-20,22,24H2,(H,38,45)(H,39,44)/t32-/m0/s1
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| InChIKey |
PWOIYCNBZZDBKW-YTTGMZPUSA-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