General Information of the Compound
| Compound ID |
CP0496649
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| Compound Name |
2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-6-chloro-N-methylquinazolin-4-amine
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| Structure |
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| Formula |
C15H18ClN5
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| Molecular Weight |
303.797
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| Canonical SMILES |
CNc1nc(nc2ccc(Cl)cc12)N1C[C@@H]2CNC[C@@H]2C1
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| InChI |
InChI=1S/C15H18ClN5/c1-17-14-12-4-11(16)2-3-13(12)19-15(20-14)21-7-9-5-18-6-10(9)8-21/h2-4,9-10,18H,5-8H2,1H3,(H,17,19,20)/t9-,10+
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| InChIKey |
GXTUHLSDMPMQEQ-AOOOYVTPSA-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