General Information of the Compound
| Compound ID |
CP0254044
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| Compound Name |
(4-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)piperidin-1-yl)(4-methylpiperidin-1-yl)methanone
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| Structure |
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| Formula |
C24H29ClN6O
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| Molecular Weight |
452.99
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| Canonical SMILES |
CC1CCN(CC1)C(=O)N1CCC(CC1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C24H29ClN6O/c1-16-6-10-30(11-7-16)24(32)31-12-8-17(9-13-31)28-23-27-15-20(25)22(29-23)19-14-26-21-5-3-2-4-18(19)21/h2-5,14-17,26H,6-13H2,1H3,(H,27,28,29)
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| InChIKey |
KXNZPASCSDMHFQ-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