General Information of the Compound
| Compound ID |
CP0465412
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| Compound Name |
(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(oxan-4-ylmethylamino)propan-1-one
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| Structure |
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| Formula |
C27H36ClN5O3
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| Molecular Weight |
514.07
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| Canonical SMILES |
C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(CC3)C(=O)[C@H](CNCC3CCOCC3)c3ccc(Cl)cc3)c12
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| InChI |
InChI=1S/C27H36ClN5O3/c1-18-14-23(34)25-24(18)26(31-17-30-25)32-8-10-33(11-9-32)27(35)22(20-2-4-21(28)5-3-20)16-29-15-19-6-12-36-13-7-19/h2-5,17-19,22-23,29,34H,6-16H2,1H3/t18-,22-,23-/m1/s1
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| InChIKey |
ROHAVZMZAUESFZ-SXSPYAJSSA-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