General Information of the Compound
| Compound ID |
CP0501910
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| Compound Name |
tert-butyl N-[[1-[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]piperidin-3-yl]methyl]carbamate
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| Structure |
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| Formula |
C37H51N5O5
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| Molecular Weight |
645.845
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| Canonical SMILES |
CC(C)(C)OC(=O)NCC1CCCN(C1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C37H51N5O5/c1-35(2,3)29-16-14-28(15-17-29)32(44)39-21-18-37(19-22-39)33(45)41(26-42(37)30-12-8-7-9-13-30)25-31(43)40-20-10-11-27(24-40)23-38-34(46)47-36(4,5)6/h7-9,12-17,27H,10-11,18-26H2,1-6H3,(H,38,46)
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| InChIKey |
KDHDRWRHKADQKB-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