General Information of the Compound
| Compound ID |
CP0313635
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| Compound Name |
4-(3-methylanilino)-2-[[(3S)-pyrrolidin-3-yl]amino]pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C16H20N6O
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| Molecular Weight |
312.377
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| Canonical SMILES |
Cc1cccc(Nc2nc(N[C@H]3CCNC3)ncc2C(N)=O)c1
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| InChI |
InChI=1S/C16H20N6O/c1-10-3-2-4-11(7-10)20-15-13(14(17)23)9-19-16(22-15)21-12-5-6-18-8-12/h2-4,7,9,12,18H,5-6,8H2,1H3,(H2,17,23)(H2,19,20,21,22)/t12-/m0/s1
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| InChIKey |
ODRSUVBAJITCIK-LBPRGKRZSA-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