General Information of the Compound
| Compound ID |
CP0198241
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| Compound Name |
(5S)-5-amino-21-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,7,16,18,24-pentazatricyclo[15.5.2.020,23]tetracosa-17,19,21,23-tetraen-6-one
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| Structure |
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| Formula |
C31H46N8O
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| Molecular Weight |
546.764
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| Canonical SMILES |
CN1CCN(Cc2ccc(cc2)-c2cn3CCC[C@H](N)C(=O)NCCCCCCCCNc4ncc2c3n4)CC1
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| InChI |
InChI=1S/C31H46N8O/c1-37-17-19-38(20-18-37)22-24-10-12-25(13-11-24)27-23-39-16-8-9-28(32)30(40)33-14-6-4-2-3-5-7-15-34-31-35-21-26(27)29(39)36-31/h10-13,21,23,28H,2-9,14-20,22,32H2,1H3,(H,33,40)(H,34,35,36)/t28-/m0/s1
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| InChIKey |
MGGQNMHOSQIZOZ-NDEPHWFRSA-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