General Information of the Compound
| Compound ID |
CP0466756
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| Compound Name |
tert-butyl 4-[2-[8-(4-tert-butylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C35H47N5O5
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| Molecular Weight |
617.791
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C(C)(C)C)C1=O
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| InChI |
InChI=1S/C35H47N5O5/c1-33(2,3)27-14-12-26(13-15-27)30(42)37-18-16-35(17-19-37)31(43)39(25-40(35)28-10-8-7-9-11-28)24-29(41)36-20-22-38(23-21-36)32(44)45-34(4,5)6/h7-15H,16-25H2,1-6H3
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| InChIKey |
YUAYIXDOZFBVPT-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