General Information of the Compound
| Compound ID |
CP0487590
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| Compound Name |
N-[(1R)-1-cyclohexyl-2-[3-[2-(methylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]-2-fluoro-3-methylbenzamide
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| Structure |
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| Formula |
C32H40FN5O4
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| Molecular Weight |
577.701
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| Canonical SMILES |
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cccc(C)c2F)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C32H40FN5O4/c1-22-10-9-15-25(27(22)33)29(40)35-28(23-11-5-3-6-12-23)30(41)36-18-16-32(17-19-36)31(42)37(20-26(39)34-2)21-38(32)24-13-7-4-8-14-24/h4,7-10,13-15,23,28H,3,5-6,11-12,16-21H2,1-2H3,(H,34,39)(H,35,40)/t28-/m1/s1
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| InChIKey |
VEUHXNSTBPQLMM-MUUNZHRXSA-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