General Information of the Compound
| Compound ID |
CP0415853
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| Compound Name |
4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-phenylpyrazin-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
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| Structure |
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| Formula |
C33H36ClN5O
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| Molecular Weight |
554.138
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| Canonical SMILES |
CC(C)(C)CN1CCC2(CN(c3c2c(Cl)ccc3O)c2ccccc2Nc2cnc(cn2)-c2ccccc2)CC1
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| InChI |
InChI=1S/C33H36ClN5O/c1-32(2,3)21-38-17-15-33(16-18-38)22-39(31-28(40)14-13-24(34)30(31)33)27-12-8-7-11-25(27)37-29-20-35-26(19-36-29)23-9-5-4-6-10-23/h4-14,19-20,40H,15-18,21-22H2,1-3H3,(H,36,37)
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| InChIKey |
LNQFVPAZVVASLK-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