General Information of the Compound
| Compound ID |
CP0473037
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| Compound Name |
tert-butyl N-[2-[[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]ethyl]carbamate
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| Structure |
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| Formula |
C33H45N5O5
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| Molecular Weight |
591.753
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| Canonical SMILES |
CC(C)(C)OC(=O)NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C33H45N5O5/c1-31(2,3)25-14-12-24(13-15-25)28(40)36-20-16-33(17-21-36)29(41)37(23-38(33)26-10-8-7-9-11-26)22-27(39)34-18-19-35-30(42)43-32(4,5)6/h7-15H,16-23H2,1-6H3,(H,34,39)(H,35,42)
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| InChIKey |
HMCYBGTVGFGTSE-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