General Information of the Compound
| Compound ID |
CP0256425
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| Compound Name |
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2R)-pyrrolidin-2-yl]methanone
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| Structure |
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| Formula |
C24H30Cl2N6O
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| Molecular Weight |
489.451
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| Canonical SMILES |
Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@H]3CCCN3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C24H30Cl2N6O/c25-18-4-3-17(19(26)14-18)15-29-21-5-10-28-23(30-21)31-11-6-24(7-12-31)8-13-32(16-24)22(33)20-2-1-9-27-20/h3-5,10,14,20,27H,1-2,6-9,11-13,15-16H2,(H,28,29,30)/t20-/m1/s1
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| InChIKey |
FCBVISPGBVZJDX-HXUWFJFHSA-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