General Information of the Compound
| Compound ID |
CP0555732
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| Compound Name |
4-(1-bicyclo[1.1.1]pentanylamino)-2-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C16H23N5O2
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| Molecular Weight |
317.393
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| Canonical SMILES |
NC(=O)c1cnc(N[C@@H]2CCC[C@H](O)C2)nc1NC12CC(C1)C2
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| InChI |
InChI=1S/C16H23N5O2/c17-13(23)12-8-18-15(19-10-2-1-3-11(22)4-10)20-14(12)21-16-5-9(6-16)7-16/h8-11,22H,1-7H2,(H2,17,23)(H2,18,19,20,21)/t9?,10-,11+,16?/m1/s1
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| InChIKey |
AWCZONGEZBLWJC-OUBLUOKUSA-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