General Information of the Compound
| Compound ID |
CP0440385
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| Compound Name |
(S)-(4-(4-(2,4-dichlorobenzylamino)pyrido[2,3-d]pyrimidin-2-yl)piperazin-1-yl)(pyrrolidin-2-yl)methanone
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| Structure |
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| Formula |
C23H25Cl2N7O
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| Molecular Weight |
486.407
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| Canonical SMILES |
Clc1ccc(CNc2nc(nc3ncccc23)N2CCN(CC2)C(=O)[C@@H]2CCCN2)c(Cl)c1
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| InChI |
InChI=1S/C23H25Cl2N7O/c24-16-6-5-15(18(25)13-16)14-28-21-17-3-1-8-27-20(17)29-23(30-21)32-11-9-31(10-12-32)22(33)19-4-2-7-26-19/h1,3,5-6,8,13,19,26H,2,4,7,9-12,14H2,(H,27,28,29,30)/t19-/m0/s1
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| InChIKey |
NMEJJNBJNRNRJQ-IBGZPJMESA-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