General Information of the Compound
| Compound ID |
CP0393234
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| Compound Name |
tert-butyl N-[[[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]carbamate
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| Structure |
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| Formula |
C32H43N5O5
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| Molecular Weight |
577.726
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| Canonical SMILES |
CC(C)(C)OC(=O)NCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C32H43N5O5/c1-30(2,3)24-14-12-23(13-15-24)27(39)35-18-16-32(17-19-35)28(40)36(22-37(32)25-10-8-7-9-11-25)20-26(38)33-21-34-29(41)42-31(4,5)6/h7-15H,16-22H2,1-6H3,(H,33,38)(H,34,41)
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| InChIKey |
PUURQYDWRGSCDC-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