General Information of the Compound
| Compound ID |
CP0527123
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| Compound Name |
N-(2-aminoethyl)-2-[8-(4-cyclohexylbenzoyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetamide
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| Structure |
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| Formula |
C30H39N5O3
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| Molecular Weight |
517.674
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| Canonical SMILES |
NCCNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)c2ccc(cc2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C30H39N5O3/c31-17-18-32-27(36)21-34-22-35(26-9-5-2-6-10-26)30(29(34)38)15-19-33(20-16-30)28(37)25-13-11-24(12-14-25)23-7-3-1-4-8-23/h2,5-6,9-14,23H,1,3-4,7-8,15-22,31H2,(H,32,36)
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| InChIKey |
BUFVCRHNPRXVHX-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