General Information of the Compound
| Compound ID |
CP0414795
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| Compound Name |
methyl 1-[2-[[5-(4-tert-butylphenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-4-carboxylate
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| Structure |
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| Formula |
C37H45N5O3S
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| Molecular Weight |
639.866
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| Canonical SMILES |
COC(=O)c1ccc(O)c2N(CC3(CCN(CC(C)(C)C)CC3)c12)c1ccccc1Nc1nnc(s1)-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C37H45N5O3S/c1-35(2,3)22-41-20-18-37(19-21-41)23-42(31-29(43)17-16-26(30(31)37)33(44)45-7)28-11-9-8-10-27(28)38-34-40-39-32(46-34)24-12-14-25(15-13-24)36(4,5)6/h8-17,43H,18-23H2,1-7H3,(H,38,40)
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| InChIKey |
QJSULCVSZHCBLW-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