General Information of the Compound
| Compound ID |
CP0094302
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| Compound Name |
[8-[4-[(2,4-dichlorophenyl)methylamino]pyrimidin-2-yl]-2,8-diazaspiro[4.5]decan-2-yl]-[(2S)-piperidin-2-yl]methanone
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| Structure |
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| Formula |
C25H32Cl2N6O
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| Molecular Weight |
503.478
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| Canonical SMILES |
Clc1ccc(CNc2ccnc(n2)N2CCC3(CCN(C3)C(=O)[C@@H]3CCCCN3)CC2)c(Cl)c1
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| InChI |
InChI=1S/C25H32Cl2N6O/c26-19-5-4-18(20(27)15-19)16-30-22-6-11-29-24(31-22)32-12-7-25(8-13-32)9-14-33(17-25)23(34)21-3-1-2-10-28-21/h4-6,11,15,21,28H,1-3,7-10,12-14,16-17H2,(H,29,30,31)/t21-/m0/s1
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| InChIKey |
QHNRPKQSSSAFSM-NRFANRHFSA-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