General Information of the Compound
| Compound ID |
CP0462697
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| Compound Name |
(+/-)-2-[6-(1H-Indazol-3-ylmethyl)-5,7-dioxo-4-(phenylmethyl)-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl]-N-(1-methylethyl)-N-[4-(methyloxy)phenyl]acetamide
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| Structure |
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| Formula |
C32H33N5O4
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| Molecular Weight |
551.647
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| Canonical SMILES |
COc1ccc(cc1)N(C(C)C)C(=O)CN1C=CN(Cc2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C32H33N5O4/c1-22(2)37(24-13-15-25(41-3)16-14-24)30(38)21-36-18-17-35(20-23-9-5-4-6-10-23)31(39)27(32(36)40)19-29-26-11-7-8-12-28(26)33-34-29/h4-18,22,27H,19-21H2,1-3H3,(H,33,34)
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| InChIKey |
AOCBNSDOVIQENU-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