General Information of the Compound
| Compound ID |
CP0512844
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| Compound Name |
methyl 4-[[2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetyl]amino]butanoate
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| Structure |
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| Formula |
C33H42N4O5
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| Molecular Weight |
574.722
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| Canonical SMILES |
COC(=O)CCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C33H42N4O5/c1-42-30(39)13-8-20-34-29(38)23-36-24-37(28-11-6-3-7-12-28)33(32(36)41)18-21-35(22-19-33)31(40)27-16-14-26(15-17-27)25-9-4-2-5-10-25/h3,6-7,11-12,14-17,25H,2,4-5,8-10,13,18-24H2,1H3,(H,34,38)
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| InChIKey |
SHYNHKGSYIJWDP-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