General Information of the Compound
| Compound ID |
CP0456415
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| Compound Name |
6-N-(3,3-dimethylbutyl)-4-N-[(3S)-pyrrolidin-3-yl]pyrimidine-4,6-diamine
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| Structure |
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| Formula |
C14H25N5
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| Molecular Weight |
263.389
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| Canonical SMILES |
CC(C)(C)CCNc1cc(N[C@H]2CCNC2)ncn1
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| InChI |
InChI=1S/C14H25N5/c1-14(2,3)5-7-16-12-8-13(18-10-17-12)19-11-4-6-15-9-11/h8,10-11,15H,4-7,9H2,1-3H3,(H2,16,17,18,19)/t11-/m0/s1
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| InChIKey |
ZELKFGCESYLZNT-NSHDSACASA-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