General Information of the Compound
| Compound ID |
CP0109204
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| Compound Name |
4-[8-[(8-chloro-4,4-dimethyl-2,3-dihydrochromen-6-yl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-2-yl]benzoic acid
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| Structure |
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| Formula |
C27H31ClN2O4
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| Molecular Weight |
483.008
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| Canonical SMILES |
CC1(C)CCOc2c(Cl)cc(CN3CCC4(CN(C(=O)C4)c4ccc(cc4)C(O)=O)CC3)cc12
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| InChI |
InChI=1S/C27H31ClN2O4/c1-26(2)9-12-34-24-21(26)13-18(14-22(24)28)16-29-10-7-27(8-11-29)15-23(31)30(17-27)20-5-3-19(4-6-20)25(32)33/h3-6,13-14H,7-12,15-17H2,1-2H3,(H,32,33)
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| InChIKey |
SPKKAJSHCXENCX-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
Protein ID: PT01196, Somatostatin receptor type 5
Protein ID: PT06443, Somatostatin receptor type 5